Vitas-M small molecule compound

2-{[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}benzonitrile

Catalog ID
STK253923
SMILES N#Cc1ccccc1CSc1nc2c(n1C)cccc2

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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 C16H13N3S MW 279.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3S/c1-19-15-9-5-4-8-14(15)18-16(19)20-11-13-7-3-2-6-12(13)10-17/h2-9H,11H2,1H3
InChIKey
ADMHJBLNUGZHPE-UHFFFAOYSA-N
Synonyms

2(((1methyl1Hbenzimidazol2yl)sulfanyl)methyl)benzonitrile
2((1methylbenzimidazol2yl)sulfanylmethyl)benzonitrile
CN1C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N
InChI=1SC16H13N3Sc11915954814(15)1816(19)201113732612(13)1017h29H11H21H3
MFCD04702692
ZINC000007153983
ZINC07153983
ZINC7153983

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.