Vitas-M small molecule compound

1-(piperidin-1-yl)-3-(propylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK836016
SMILES CCCSc1nc(N2CCCCC2)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 C18H25N3S MW 315.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3S/c1-2-12-22-18-16(13-19)14-8-4-5-9-15(14)17(20-18)21-10-6-3-7-11-21/h2-12H2,1H3
InChIKey
UMOUNYMKXJEVMB-UHFFFAOYSA-N
Synonyms

1(piperidin1yl)3(propylsulfanyl)5678tetrahydroisoquinoline4carbonitrile
1(piperidin1yl)3(propylthio)5678tetrahydroisoquinoline4carbonitrile
1piperidin1yl3propylsulfanyl5678tetrahydroisoquinoline4carbonitrile
CCCSC1=NC(=C2CCCCC2=C1C#N)N3CCCCC3
InChI=1SC18H25N3Sc1212221816(1319)14845915(14)17(2018)21106371121h212H21H3
MFCD02241915
ZINC000012437255
ZINC12437255

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Available files

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