Vitas-M small molecule compound

3-(benzylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK059854
SMILES N#Cc1c(SCc2ccccc2)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 C19H20N2S MW 308.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2S/c1-2-18-16-11-7-6-10-15(16)17(12-20)19(21-18)22-13-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-11,13H2,1H3
InChIKey
YWZJABAZIJRSPK-UHFFFAOYSA-N
Synonyms
315247-17-7
3(benzylsulfanyl)1ethyl5678tetrahydroisoquinoline4carbonitrile
3(benzylthio)1ethyl5678tetrahydroisoquinoline4carbonitrile
315247177
3benzylsulfanyl1ethyl5678tetrahydroisoquinoline4carbonitrile
CCC1=C2CCCCC2=C(C(=N1)SCC3=CC=CC=C3)C#N
InChI=1SC19H20N2Sc12181611761015(16)17(1220)19(2118)2213148435914h3589H267101113H21H3
MFCD01853730
N#Cc1c(SCc2ccccc2)nc(c2c1CCCC2)CC
STK059854
ZINC000000086783
ZINC00086783
ZINC86783

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Available files

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