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Murcko scaffold

Ring system with 4 rings and 22 atoms

22 chemicals on CompoundList share this ring system.

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

O=c1[nH]c(=Cc2ccccn2)sc1=C1Nc2ccccc2S1

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=c1[nH]c(=Cc2ccccn2)sc1=C1Nc2ccccc2S1

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 22 of 22 chemicals

3-Ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one chloride chemical structure, C21H22ClN3OS2, CAS 147366-41-4
3-Ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one chloride
CAS 147366-41-4C21H22ClN3OS2
FJ 776 (free base) chemical structure, C21H22N3OS2+
FJ 776 (free base)
C21H22N3OS2+
1-Ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride chemical structure, C21H22ClN3OS2
1-Ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride
C21H22ClN3OS2
Mkt-077 chemical structure, C21H22ClN3OS2, CAS 1427472-75-0
Mkt-077
CAS 1427472-75-0C21H22ClN3OS2
Pyridinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate chemical structure, C23H25N3O3S2, CAS 142306-97-6
Pyridinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate
CAS 142306-97-6C23H25N3O3S2
Pyridinium,1-ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]- chemical structure, C21H22N3OS2+, CAS 1427450-44-9
Pyridinium,1-ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-
CAS 1427450-44-9C21H22N3OS2+
(2E,5Z)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one chloride chemical structure, C20H20ClN3OS2
(2E,5Z)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one chloride
C20H20ClN3OS2
2-((3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)-1-methylpyridin-1-ium chloride chemical structure, C20H20ClN3OS2
2-((3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)-1-methylpyridin-1-ium chloride
C20H20ClN3OS2
2-((Z)-((E)-3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)-1-methylpyridin-1-iuM 4-methylbenzenesulfonate chemical structure, C27H27N3O4S3, CAS 1427450-47-2
2-((Z)-((E)-3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)-1-methylpyridin-1-iuM 4-methylbenzenesulfonate
CAS 1427450-47-2C27H27N3O4S3
3-Ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-2-(2-pyridinylmethylene)-4-thiazolidinone chemical structure, C19H17N3OS2, CAS 812647-88-4
3-Ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-2-(2-pyridinylmethylene)-4-thiazolidinone
CAS 812647-88-4C19H17N3OS2
(2Z,5E)-3-Ethyl-5-[3-methyl-6-(trifluoromethyl)-1,3-benzothiazol-2-ylidene]-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one chemical structure, C20H16F3N3OS2, CAS 1627122-26-2
(2Z,5E)-3-Ethyl-5-[3-methyl-6-(trifluoromethyl)-1,3-benzothiazol-2-ylidene]-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CAS 1627122-26-2C20H16F3N3OS2
2-((3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)-1-methylpyridin-1-ium 4-methylbenzenesulfonate chemical structure, C27H27N3O4S3, CAS 409086-76-6
2-((3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)-1-methylpyridin-1-ium 4-methylbenzenesulfonate
CAS 409086-76-6C27H27N3O4S3
(2Z,5Z)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one chloride chemical structure, C20H20ClN3OS2
(2Z,5Z)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one chloride
C20H20ClN3OS2
PyridiniuM, 2-[[3-ethyl-5-(3-Methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]Methyl]-1-Methyl-, chloride (1:1) chemical structure, C20H20ClN3OS2, CAS 409086-68-6
PyridiniuM, 2-[[3-ethyl-5-(3-Methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]Methyl]-1-Methyl-, chloride (1:1)
CAS 409086-68-6C20H20ClN3OS2
1-Ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride chemical structure, C21H22ClN3OS2
1-Ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride
C21H22ClN3OS2
1-Ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-pyridinium Chloride, FJ 776 chemical structure, C21H22ClN3OS2
1-Ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-pyridinium Chloride, FJ 776
C21H22ClN3OS2
(2Z)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one chloride chemical structure, C20H20ClN3OS2
(2Z)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one chloride
C20H20ClN3OS2
1-Ethyl-2-((E)-((E)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium 4-methylbenzenesulfinate chemical structure, C28H29N3O3S3, CAS 157487-33-7
1-Ethyl-2-((E)-((E)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium 4-methylbenzenesulfinate
CAS 157487-33-7C28H29N3O3S3
2-((3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)-1-methylpyridin-1-ium 4-methylbenzenesulfonate chemical structure, C27H27N3O4S3
2-((3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)-1-methylpyridin-1-ium 4-methylbenzenesulfonate
C27H27N3O4S3
(2Z,5E)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylene]thiazolidin-4-one, chloride chemical structure, C20H20ClN3OS2
(2Z,5E)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylene]thiazolidin-4-one, chloride
C20H20ClN3OS2
1-Ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride chemical structure, C21H22ClN3OS2
1-Ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride
C21H22ClN3OS2
(2Z,5E)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylene]thiazolidin-4-one, 4-methylbenzenesulfonate chemical structure, C27H27N3O4S3
(2Z,5E)-3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylene]thiazolidin-4-one, 4-methylbenzenesulfonate
C27H27N3O4S3