Vitas-M small molecule compound

1-ethyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK053303
SMILES N#Cc1c(SCC(=O)c2ccc(cc2)C)nc(c2c1CCCC2)CC

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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 C21H22N2OS MW 350.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2OS/c1-3-19-17-7-5-4-6-16(17)18(12-22)21(23-19)25-13-20(24)15-10-8-14(2)9-11-15/h8-11H,3-7,13H2,1-2H3
InChIKey
IUJFYRAEAFYPOD-UHFFFAOYSA-N
Synonyms

1ethyl3((2(4methylphenyl)2oxoethyl)sulfanyl)5678tetrahydroisoquinoline4carbonitrile
1ethyl3(2(4methylphenyl)2oxoethyl)sulfanyl5678tetrahydroisoquinoline4carbonitrile
CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)C)C#N
InChI=1SC21H22N2OSc131917754616(17)18(1222)21(2319)251320(24)1510814(2)91115h811H3713H212H3
MFCD03032797
N#Cc1c(SCC(=O)c2ccc(cc2)C)nc(c2c1CCCC2)CC
STK053303
ZINC000006570393
ZINC06570393
ZINC6570393

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Available files

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