Vitas-M small molecule compound

2-{[(4-methylphenyl)sulfanyl]methyl}benzonitrile

Catalog ID
STK119703
SMILES N#Cc1ccccc1CSc1ccc(cc1)C

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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 C15H13NS MW 239.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13NS/c1-12-6-8-15(9-7-12)17-11-14-5-3-2-4-13(14)10-16/h2-9H,11H2,1H3
InChIKey
CWNLNKYVOYOUDR-UHFFFAOYSA-N
Synonyms
737807-97-5
2(((4METHYLPHENYL)SULFANYL)METHYL)BENZONITRILE
2((4METHYLPHENYL)SULFANYLMETHYL)BENZONITRILE
2((ptolylthio)methyl)benzonitrile
737807975
CC1=CC=C(C=C1)SCC2=CC=CC=C2C#N
InChI=1SC15H13NSc1126815(9712)171114532413(14)1016h29H11H21H3
MFCD05134638
ZINC000005324377
ZINC05324377
ZINC5324377

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Available files

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