Vitas-M small molecule compound

1-methyl-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK788574
SMILES N#Cc1c(S)nc(c2c1CCCC2)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 C11H12N2S MW 204.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N2S/c1-7-8-4-2-3-5-9(8)10(6-12)11(14)13-7/h2-5H2,1H3,(H,13,14)
InChIKey
NBBIVWBHKOGCDQ-UHFFFAOYSA-N
Synonyms
95546-96-6
1methyl3sulfanyl5678tetrahydroisoquinoline4carbonitrile
1methyl3sulfanylidene5678tetrahydro2Hisoquinoline4carbonitrile
3mercapto1methyl5678tetrahydroisoquinoline4carbonitrile
CC1=C2CCCCC2=C(C(=S)N1)C#N
InChI=1SC11H12N2Sc17842359(8)10(612)11(14)137h25H21H3(H1314)
MFCD02984298
ZINC000005537742
ZINC05537742
ZINC5537742

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Available files

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