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Murcko scaffold

Vortioxetine impurity 38 scaffold

36 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
36
With full pages
3
Scaffold SMILES

c1ccc(Sc2ccccc2N2CCNCC2)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 scaffoldOpen the Vortioxetine impurity 38 page
Murcko scaffold c1ccc(Sc2ccccc2N2CCNCC2)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 36 of 36 chemicals

1-(2-(p-Tolylthio)phenyl)piperazine chemical structure, C17H20N2S, CAS 508233-82-7
1-(2-(p-Tolylthio)phenyl)piperazine
CAS 508233-82-7C17H20N2S
1-(2-((3,5-Dimethylphenyl)thio)phenyl)piperazine chemical structure, C18H22N2S, CAS 508233-75-8
1-(2-((3,5-Dimethylphenyl)thio)phenyl)piperazine
CAS 508233-75-8C18H22N2S
1-(2-((2,5-Dimethylphenyl)thio)phenyl)piperazine chemical structure, C18H22N2S, CAS 508233-77-0
1-(2-((2,5-Dimethylphenyl)thio)phenyl)piperazine
CAS 508233-77-0C18H22N2S
Vortioxetine chemical structure, C18H22N2S, CAS 508233-74-7
Vortioxetine
CAS 508233-74-7C18H22N2S
1-[2-(2,6-Dimethylphenyl)sulfanylphenyl]piperazine chemical structure, C18H22N2S, CAS 508233-76-9
1-[2-(2,6-Dimethylphenyl)sulfanylphenyl]piperazine
CAS 508233-76-9C18H22N2S
1-Piperazineacetic acid,4-[5-chloro-2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-,(2R)- chemical structure, C20H23ClN2O3S, CAS 556113-62-3
1-Piperazineacetic acid,4-[5-chloro-2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-,(2R)-
CAS 556113-62-3C20H23ClN2O3S
Vortioxetine impurity 38 chemical structure, C16H18N2S, CAS 1293489-64-1
Vortioxetine impurity 38
CAS 1293489-64-1C16H18N2S
1-(2-p-Tolylsulfanyl-phenyl)-piperazine Hydrochloride chemical structure, C17H21ClN2S, CAS 508234-03-5
1-(2-p-Tolylsulfanyl-phenyl)-piperazine Hydrochloride
CAS 508234-03-5C17H21ClN2S
{4-[2-(4-Methoxy-phenylsulfanyl)-5-methyl-phenyl]-2-methyl-piperazin-1-yl}-acetic acid chemical structure, C21H26N2O3S, CAS 745031-36-1
{4-[2-(4-Methoxy-phenylsulfanyl)-5-methyl-phenyl]-2-methyl-piperazin-1-yl}-acetic acid
CAS 745031-36-1C21H26N2O3S
1-(2-((5-Chloro-2,4-dimethylphenyl)thio)phenyl)piperazine chemical structure, C18H21ClN2S, CAS 1240670-87-4
1-(2-((5-Chloro-2,4-dimethylphenyl)thio)phenyl)piperazine
CAS 1240670-87-4C18H21ClN2S
1-(2-(m-Tolylthio)phenyl)piperazine chemical structure, C17H20N2S, CAS 1293489-69-6
1-(2-(m-Tolylthio)phenyl)piperazine
CAS 1293489-69-6C17H20N2S
Piperazine, 1-[2-[(2-methylphenyl)thio]phenyl]- chemical structure, C17H20N2S, CAS 1293489-71-0
Piperazine, 1-[2-[(2-methylphenyl)thio]phenyl]-
CAS 1293489-71-0C17H20N2S
1-[2-[(3,4-Dimethylphenyl)thio]phenyl]piperazine Hyrochloride chemical structure, C18H23ClN2S, CAS 1293342-97-8
1-[2-[(3,4-Dimethylphenyl)thio]phenyl]piperazine Hyrochloride
CAS 1293342-97-8C18H23ClN2S
1-(2-((3,4-Dimethylphenyl)thio)phenyl)piperazine chemical structure, C18H22N2S, CAS 1293489-74-3
1-(2-((3,4-Dimethylphenyl)thio)phenyl)piperazine
CAS 1293489-74-3C18H22N2S
4-Desmethyl 3-methyl vortioxetine hydrochloride chemical structure, C18H23ClN2S, CAS 1293343-01-7
4-Desmethyl 3-methyl vortioxetine hydrochloride
CAS 1293343-01-7C18H23ClN2S
Vortioxetine impurity 4 chemical structure, C18H22N2S, CAS 1293489-77-6
Vortioxetine impurity 4
CAS 1293489-77-6C18H22N2S
1,1-Dimethylethyl 4-(2-((2,4-dimethylphenyl)thio)phenyl)-1-piperazinecarboxylate chemical structure, C23H30N2O2S, CAS 960203-42-3
1,1-Dimethylethyl 4-(2-((2,4-dimethylphenyl)thio)phenyl)-1-piperazinecarboxylate
CAS 960203-42-3C23H30N2O2S
Vortioxetine hydrobromide chemical structure, C18H23BrN2S, CAS 960203-27-4
Vortioxetine hydrobromide
CAS 960203-27-4C18H23BrN2S
Vortioxetine hydrochloride chemical structure, C18H23ClN2S, CAS 960203-28-5
Vortioxetine hydrochloride
CAS 960203-28-5C18H23ClN2S
Vortioxetine DL-lactate chemical structure, C21H28N2O3S, CAS 1253056-29-9
Vortioxetine DL-lactate
CAS 1253056-29-9C21H28N2O3S
Phenol, 3-((2,4-dimethylphenyl)thio)-4-(1-piperazinyl)- chemical structure, C18H22N2OS, CAS 1429751-00-7
Phenol, 3-((2,4-dimethylphenyl)thio)-4-(1-piperazinyl)-
CAS 1429751-00-7C18H22N2OS
1-[4-[2-[(2,4-Dimethylphenyl)thio]phenyl]-1-piperazinyl]ethanone chemical structure, C20H24N2OS, CAS 1801352-86-2
1-[4-[2-[(2,4-Dimethylphenyl)thio]phenyl]-1-piperazinyl]ethanone
CAS 1801352-86-2C20H24N2OS
N-Hydroxy vortioxetine chemical structure, C18H22N2OS, CAS 1393644-67-1
N-Hydroxy vortioxetine
CAS 1393644-67-1C18H22N2OS
LU-AA34443 chemical structure, C18H20N2O2S, CAS 1429908-33-7
LU-AA34443
CAS 1429908-33-7C18H20N2O2S