Vitas-M small molecule compound

3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STL361045
SMILES N#Cc1c(SCc2nc3c([nH]2)cccc3)nc(c2c1CCCC2)c1ccc(cc1)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H19ClN4S MW 430.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN4S/c25-16-11-9-15(10-12-16)23-18-6-2-1-5-17(18)19(13-26)24(29-23)30-14-22-27-20-7-3-4-8-21(20)28-22/h3-4,7-12H,1-2,5-6,14H2,(H,27,28)
InChIKey
NVRFNVMLOCHGRI-UHFFFAOYSA-N
Synonyms
840454-96-8
3(((1Hbenzo(d)imidazol2yl)methyl)thio)1(4chlorophenyl)5678tetrahydroisoquinoline4carbonitrile
3((1Hbenzimidazol2ylmethyl)sulfanyl)1(4chlorophenyl)5678tetrahydroisoquinoline4carbonitrile
3(1Hbenzimidazol2ylmethylsulfanyl)1(4chlorophenyl)5678tetrahydroisoquinoline4carbonitrile
840454968
C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Cl
InChI=1SC24H19ClN4Sc251611915(101216)2318621517(18)19(1326)24(2923)3014222720734821(20)2822h34712H125614H2(H2728)
MFCD03693807
N#Cc1c(SCc2nc3c((nH)2)cccc3)nc(c2c1CCCC2)c1ccc(cc1)Cl
ZINC000002256143
ZINC02256143
ZINC2256143

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Available files

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