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Murcko scaffold

Ring system with 4 rings and 21 atoms

80 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 21
Chemicals: 80
With full pages: 3

Scaffold SMILES

c1ccc(C2CN(c3ccccc3)C3=[N+]2CCCS3)cc1

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 c1ccc(C2CN(c3ccccc3)C3=[N+]2CCCS3)cc1

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 80 chemicals

3-Hydroxy-3-(4-methoxyphenyl)-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C19H21BrN2O2S, CAS 352018-34-9

3-Hydroxy-3-(4-methoxyphenyl)-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 352018-34-9C₁₉H₂₁BrN₂O₂S

3-(4-Chlorophenyl)-3-hydroxy-1-phenyl-2H,3H,5H,6H,7H-1lambda5-imidazo[2,1-b][1,3]thiazin-1-ylium bromide chemical structure, C18H18BrClN2OS, CAS 288090-56-2

3-(4-Chlorophenyl)-3-hydroxy-1-phenyl-2H,3H,5H,6H,7H-1lambda5-imidazo[2,1-b][1,3]thiazin-1-ylium bromide

CAS 288090-56-2C₁₈H₁₈BrClN₂OS

3-Hydroxy-3-(3-nitrophenyl)-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C18H18BrN3O3S, CAS 352018-37-2

3-Hydroxy-3-(3-nitrophenyl)-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 352018-37-2C₁₈H₁₈BrN₃O₃S

3-Hydroxy-1-phenyl-3-(p-tolyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C19H21BrN2OS, CAS 288090-53-9

3-Hydroxy-1-phenyl-3-(p-tolyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 288090-53-9C₁₉H₂₁BrN₂OS

3-Hydroxy-1,3-diphenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C18H19BrN2OS, CAS 288090-50-6

3-Hydroxy-1,3-diphenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 288090-50-6C₁₈H₁₉BrN₂OS

3-(3,4-Dimethoxyphenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C20H23BrN2O3S, CAS 352018-30-5

3-(3,4-Dimethoxyphenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 352018-30-5C₂₀H₂₃BrN₂O₃S

1-(2,3-Dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium chemical structure, C22H27N2O2S+, CAS 6998-64-7

1-(2,3-Dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

CAS 6998-64-7C₂₂H₂₇N₂O₂S+

1-(2,5-Dimethoxyphenyl)-3-hydroxy-3-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C20H23BrN2O3S, CAS 1106750-93-9

1-(2,5-Dimethoxyphenyl)-3-hydroxy-3-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1106750-93-9C₂₀H₂₃BrN₂O₃S

3-(2-Fluoro-4-methoxyphenyl)-3-hydroxy-2-methyl-1-phenyl-2H,3H,5H,6H,7H-1lambda5-imidazo[2,1-b][1,3]thiazin-1-ylium bromide chemical structure, C20H22BrFN2O2S, CAS 475158-17-9

3-(2-Fluoro-4-methoxyphenyl)-3-hydroxy-2-methyl-1-phenyl-2H,3H,5H,6H,7H-1lambda5-imidazo[2,1-b][1,3]thiazin-1-ylium bromide

CAS 475158-17-9C₂₀H₂₂BrFN₂O₂S

3-(4-Bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C19H20Br2N2O2S, CAS 475158-29-3

3-(4-Bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 475158-29-3C₁₉H₂₀Br₂N₂O₂S

3-(4-Fluorophenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C18H18BrFN2OS, CAS 288090-62-0

3-(4-Fluorophenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 288090-62-0C₁₈H₁₈BrFN₂OS

1-(4-Bromophenyl)-3-hydroxy-3-(4-nitrophenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C18H17Br2N3O3S, CAS 475091-65-7

1-(4-Bromophenyl)-3-hydroxy-3-(4-nitrophenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 475091-65-7C₁₈H₁₇Br₂N₃O₃S

3-(4-Bromophenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C18H18Br2N2OS, CAS 288090-59-5

3-(4-Bromophenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 288090-59-5C₁₈H₁₈Br₂N₂OS

3-(2,4-Dichlorophenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C18H17BrCl2N2OS, CAS 1025466-36-7

3-(2,4-Dichlorophenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1025466-36-7C₁₈H₁₇BrCl₂N₂OS

3-[4-(Difluoromethoxy)phenyl]-3-hydroxy-1-(2-methoxyphenyl)-2H,3H,5H,6H,7H-1lambda5-imidazo[2,1-b][1,3]thiazin-1-ylium bromide chemical structure, C20H21BrF2N2O3S, CAS 385431-22-1

3-[4-(Difluoromethoxy)phenyl]-3-hydroxy-1-(2-methoxyphenyl)-2H,3H,5H,6H,7H-1lambda5-imidazo[2,1-b][1,3]thiazin-1-ylium bromide

CAS 385431-22-1C₂₀H₂₁BrF₂N₂O₃S

3-Hydroxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C19H20BrN3O4S, CAS 475158-21-5

3-Hydroxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 475158-21-5C₁₉H₂₀BrN₃O₄S

3-(4-(Difluoromethoxy)phenyl)-1-(4-ethoxyphenyl)-3-hydroxy-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C21H23BrF2N2O3S, CAS 1094598-20-5

3-(4-(Difluoromethoxy)phenyl)-1-(4-ethoxyphenyl)-3-hydroxy-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1094598-20-5C₂₁H₂₃BrF₂N₂O₃S

3-(4-Ethylphenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C20H23BrN2OS, CAS 1106745-02-1

3-(4-Ethylphenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1106745-02-1C₂₀H₂₃BrN₂OS

3-(2,4-Dimethylphenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C20H23BrN2OS, CAS 1101776-30-0

3-(2,4-Dimethylphenyl)-3-hydroxy-1-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1101776-30-0C₂₀H₂₃BrN₂OS

1-(4-Bromophenyl)-3-hydroxy-3-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C19H20Br2N2O2S, CAS 1107547-50-1

1-(4-Bromophenyl)-3-hydroxy-3-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1107547-50-1C₁₉H₂₀Br₂N₂O₂S

1-(4-Bromophenyl)-3-hydroxy-3-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C18H18Br2N2OS, CAS 1106750-34-8

1-(4-Bromophenyl)-3-hydroxy-3-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1106750-34-8C₁₈H₁₈Br₂N₂OS

1-(4-Bromophenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C20H22Br2N2O3S, CAS 1106746-71-7

1-(4-Bromophenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1106746-71-7C₂₀H₂₂Br₂N₂O₃S

3-(4-Fluorophenyl)-3-hydroxy-1-(p-tolyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C19H20BrFN2OS, CAS 1104733-71-2

3-(4-Fluorophenyl)-3-hydroxy-1-(p-tolyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1104733-71-2C₁₉H₂₀BrFN₂OS

3-(4-(Difluoromethoxy)phenyl)-3-hydroxy-1-(p-tolyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide chemical structure, C20H21BrF2N2O2S, CAS 1107547-60-3

3-(4-(Difluoromethoxy)phenyl)-3-hydroxy-1-(p-tolyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazin-1-ium bromide

CAS 1107547-60-3C₂₀H₂₁BrF₂N₂O₂S