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Murcko scaffold

Ring system with 4 rings and 22 atoms

81 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
81
With full pages
29
Scaffold SMILES

O=c1c(=Cc2ccccc2)sc2n1C(c1cccs1)C=CN=2

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=c1c(=Cc2ccccc2)sc2n1C(c1cccs1)C=CN=2

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 48 of 81 chemicals

Ethyl 7-methyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C22H20N2O3S3, CAS 5822-51-5
Ethyl 7-methyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 5822-51-5C22H20N2O3S3
Ethyl 2-[(3-ethoxy-4-hydroxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C23H22N2O5S2, CAS 425605-73-8
Ethyl 2-[(3-ethoxy-4-hydroxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 425605-73-8C23H22N2O5S2
Ethyl 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C25H27N3O4S2, CAS 6201-48-5
Ethyl 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 6201-48-5C25H27N3O4S2
(E)-Ethyl 2-(4-fluorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H17FN2O3S2, CAS 312320-09-5
(E)-Ethyl 2-(4-fluorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 312320-09-5C21H17FN2O3S2
(E)-Ethyl 2-(4-methoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C22H20N2O4S2, CAS 306309-81-9
(E)-Ethyl 2-(4-methoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 306309-81-9C22H20N2O4S2
Ethyl (2E)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C22H20N2O3S2, CAS 5826-89-1
Ethyl (2E)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 5826-89-1C22H20N2O3S2
(E)-Ethyl 2-benzylidene-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H18N2O3S2, CAS 324072-17-5
(E)-Ethyl 2-benzylidene-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 324072-17-5C21H18N2O3S2
(E)-Ethyl 2-(4-bromobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H17BrN2O3S2, CAS 5828-43-3
(E)-Ethyl 2-(4-bromobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 5828-43-3C21H17BrN2O3S2
Ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H17ClN2O3S2, CAS 306309-84-2
Ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 306309-84-2C21H17ClN2O3S2
Methyl (2E)-2-[(2,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C22H20N2O5S2, CAS 324542-35-0
Methyl (2E)-2-[(2,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 324542-35-0C22H20N2O5S2
Ethyl (2E)-2-[(2-methoxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C22H19N3O6S2, CAS 5832-72-4
Ethyl (2E)-2-[(2-methoxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 5832-72-4C22H19N3O6S2
Ethyl (2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H17BrN2O4S2, CAS 6173-07-5
Ethyl (2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 6173-07-5C21H17BrN2O4S2
Ethyl (2Z)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H17FN2O3S2, CAS 6179-42-6
Ethyl (2Z)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 6179-42-6C21H17FN2O3S2
(E)-Ethyl 2-(4-(diethylamino)benzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C25H27N3O3S2, CAS 329740-08-1
(E)-Ethyl 2-(4-(diethylamino)benzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 329740-08-1C25H27N3O3S2
(E)-Ethyl 2-(4-(dimethylamino)benzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C23H23N3O3S2, CAS 306309-87-5
(E)-Ethyl 2-(4-(dimethylamino)benzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 306309-87-5C23H23N3O3S2
(E)-Ethyl 2-(3-chlorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H17ClN2O3S2, CAS 357223-80-4
(E)-Ethyl 2-(3-chlorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 357223-80-4C21H17ClN2O3S2
Methyl (2Z)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C20H15ClN2O3S2, CAS 324071-30-9
Methyl (2Z)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 324071-30-9C20H15ClN2O3S2
Methyl (2Z)-2-[(2,4-diacetyloxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C24H20N2O7S2, CAS 324071-50-3
Methyl (2Z)-2-[(2,4-diacetyloxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 324071-50-3C24H20N2O7S2
Ethyl (2Z)-2-[(2-acetyloxy-5-bromophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C23H19BrN2O5S2, CAS 324071-06-9
Ethyl (2Z)-2-[(2-acetyloxy-5-bromophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 324071-06-9C23H19BrN2O5S2
(E)-Ethyl 2-(2-fluorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H17FN2O3S2, CAS 324072-24-4
(E)-Ethyl 2-(2-fluorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 324072-24-4C21H17FN2O3S2
Prop-2-en-1-yl (2Z)-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C24H22N2O5S2, CAS 432014-68-1
Prop-2-en-1-yl (2Z)-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 432014-68-1C24H22N2O5S2
(Z)-Allyl 2-(4-(dimethylamino)benzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C24H23N3O3S2, CAS 432015-57-1
(Z)-Allyl 2-(4-(dimethylamino)benzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 432015-57-1C24H23N3O3S2
Ethyl (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H16ClFN2O3S2, CAS 324071-11-6
Ethyl (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 324071-11-6C21H16ClFN2O3S2
Ethyl (2E)-2-[(2-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C21H17ClN2O3S2, CAS 324072-20-0
Ethyl (2E)-2-[(2-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS 324072-20-0C21H17ClN2O3S2