Vitas-M small molecule compound

3-(butylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK068812
SMILES CCCCSc1nc(c2ccccc2)c2c(c1C#N)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 C20H22N2S MW 322.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2S/c1-2-3-13-23-20-18(14-21)16-11-7-8-12-17(16)19(22-20)15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKey
WRDTYWWFNLQCIJ-UHFFFAOYSA-N
Synonyms

3(butylsulfanyl)1phenyl5678tetrahydroisoquinoline4carbonitrile
3(butylthio)1phenyl5678tetrahydroisoquinoline4carbonitrile
3butylsulfanyl1phenyl5678tetrahydroisoquinoline4carbonitrile
CCCCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3
CCCCSc1nc(c2ccccc2)c2c(c1C#N)CCCC2
InChI=1SC20H22N2Sc12313232018(1421)1611781217(16)19(2220)1595461015h46910H23781113H21H3
MFCD02982614
STK068812
ZINC000002284923
ZINC02284923
ZINC2284923

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Available files

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