Vitas-M small molecule compound

3-amino-2-(4-methoxyphenyl)-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Catalog ID
STK606773
SMILES N#Cc1c(N)n(c2ccc(cc2)OC)c(=S)c2c1CCCC2

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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 C17H17N3OS MW 311.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3OS/c1-21-12-8-6-11(7-9-12)20-16(19)15(10-18)13-4-2-3-5-14(13)17(20)22/h6-9H,2-5,19H2,1H3
InChIKey
UWSKXWGFOXLZKE-UHFFFAOYSA-N
Synonyms
502173-14-0
3amino2(4methoxyphenyl)1sulfanylidene5678tetrahydroisoquinoline4carbonitrile
3amino2(4methoxyphenyl)1thioxo125678hexahydroisoquinoline4carbonitrile
502173140
COC1=CC=C(C=C1)N2C(=C(C3=C(C2=S)CCCC3)C#N)N
InChI=1SC17H17N3OSc121128611(7912)2016(19)15(1018)13423514(13)17(20)22h69H2519H21H3
MFCD08292891
ZINC000005550220
ZINC05550220
ZINC5550220

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Available files

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