Vitas-M small molecule compound

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

Catalog ID
STK788634
SMILES N#Cc1c(SCc2ccccc2Cl)nc(c2c1CCCC2)c1cccs1

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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 C21H17ClN2S2 MW 396.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2S2/c22-18-9-4-1-6-14(18)13-26-21-17(12-23)15-7-2-3-8-16(15)20(24-21)19-10-5-11-25-19/h1,4-6,9-11H,2-3,7-8,13H2
InChIKey
IJCNUUHBAFLMRI-UHFFFAOYSA-N
Synonyms

3((2chlorobenzyl)sulfanyl)1(thiophen2yl)5678tetrahydroisoquinoline4carbonitrile
3((2chlorobenzyl)thio)1(thiophen2yl)5678tetrahydroisoquinoline4carbonitrile
3((2chlorophenyl)methylsulfanyl)1thiophen2yl5678tetrahydroisoquinoline4carbonitrile
C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CC=C3Cl)C4=CC=CS4
InChI=1SC21H17ClN2S2c2218941614(18)13262117(1223)15723816(15)20(2421)19105112519h146911H237813H2
MFCD02983458
ZINC000004818900
ZINC04818900
ZINC4818900

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Available files

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