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Murcko scaffold

Ring system with 5 rings and 32 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
32
Chemicals
12
With full pages
12
Scaffold SMILES

O=C(OCc1ccccc1)C1=CN=c2sc(=Cc3ccccc3)c(=O)n2C1c1cccs1

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=C(OCc1ccccc1)C1=CN=c2sc(=Cc3ccccc3)c(=O)n2C1c1cccs1

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 12 of 12 chemicals

Benzyl (2E)-7-methyl-3-oxo-5-(2-thienyl)-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate chemical structure, C29H26N2O6S2, CAS 617696-94-3
Benzyl (2E)-7-methyl-3-oxo-5-(2-thienyl)-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CAS 617696-94-3C29H26N2O6S2
Benzyl (2E)-2-[4-(diethylamino)benzylidene]-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate chemical structure, C30H29N3O3S2, CAS 617696-99-8
Benzyl (2E)-2-[4-(diethylamino)benzylidene]-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CAS 617696-99-8C30H29N3O3S2
Benzyl (2E)-2-(4-bromobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate chemical structure, C26H19BrN2O3S2, CAS 617696-89-6
Benzyl (2E)-2-(4-bromobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
CAS 617696-89-6C26H19BrN2O3S2
Benzyl (2E)-2-(2,3-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate chemical structure, C28H24N2O5S2, CAS 617696-93-2
Benzyl (2E)-2-(2,3-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CAS 617696-93-2C28H24N2O5S2
Benzyl (2E)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-5-(2-thienyl)-2,3-D ihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate chemical structure, C28H25N3O3S2, CAS 617696-95-4
Benzyl (2E)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-5-(2-thienyl)-2,3-D ihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CAS 617696-95-4C28H25N3O3S2
Benzyl (2E)-2-(3,4-dichlorobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate chemical structure, C26H18Cl2N2O3S2, CAS 617696-96-5
Benzyl (2E)-2-(3,4-dichlorobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
CAS 617696-96-5C26H18Cl2N2O3S2
Benzyl (2E)-2-[4-(acetyloxy)benzylidene]-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate chemical structure, C28H22N2O5S2, CAS 617696-97-6
Benzyl (2E)-2-[4-(acetyloxy)benzylidene]-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CAS 617696-97-6C28H22N2O5S2
Benzyl (2E)-2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate chemical structure, C28H24N2O5S2, CAS 617697-01-5
Benzyl (2E)-2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CAS 617697-01-5C28H24N2O5S2
Benzyl (2E)-2-(2,4-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate chemical structure, C28H24N2O5S2, CAS 617697-02-6
Benzyl (2E)-2-(2,4-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CAS 617697-02-6C28H24N2O5S2
Benzyl (2E)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-D ihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate chemical structure, C26H18ClFN2O3S2, CAS 617697-06-0
Benzyl (2E)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-D ihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CAS 617697-06-0C26H18ClFN2O3S2
Benzyl (2E)-2-(4-(allyloxy)benzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate chemical structure, C29H24N2O4S2, CAS 617697-10-6
Benzyl (2E)-2-(4-(allyloxy)benzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
CAS 617697-10-6C29H24N2O4S2
Benzyl (2E)-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate chemical structure, C28H24N2O5S2, CAS 617698-58-5
Benzyl (2E)-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CAS 617698-58-5C28H24N2O5S2