Vitas-M small molecule compound

3-[(2-chlorobenzyl)sulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK788577
SMILES N#Cc1c(SCc2ccccc2Cl)nc(c2c1CCCC2)c1ccccc1

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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 C23H19ClN2S MW 390.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2S/c24-21-13-7-4-10-17(21)15-27-23-20(14-25)18-11-5-6-12-19(18)22(26-23)16-8-2-1-3-9-16/h1-4,7-10,13H,5-6,11-12,15H2
InChIKey
LPNXNNDGCDOEGZ-UHFFFAOYSA-N
Synonyms

3((2chlorobenzyl)sulfanyl)1phenyl5678tetrahydroisoquinoline4carbonitrile
3((2chlorobenzyl)thio)1phenyl5678tetrahydroisoquinoline4carbonitrile
3((2chlorophenyl)methylsulfanyl)1phenyl5678tetrahydroisoquinoline4carbonitrile
C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CC=C3Cl)C4=CC=CC=C4
InChI=1SC23H19ClN2Sc242113741017(21)15272320(1425)1811561219(18)22(2623)168213916h1471013H56111215H2
MFCD02328710
ZINC000002303096
ZINC02303096
ZINC2303096

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Available files

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