Vitas-M small molecule compound

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

Catalog ID
STK603536
SMILES N#Cc1c(N)n(c2ccccc2OC)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/c1-21-15-9-5-4-8-14(15)20-16(19)13(10-18)11-6-2-3-7-12(11)17(20)22/h4-5,8-9H,2-3,6-7,19H2,1H3
InChIKey
UAAJLNAYXIJMHE-UHFFFAOYSA-N
Synonyms
903866-86-4
3amino2(2methoxyphenyl)1sulfanylidene5678tetrahydroisoquinoline4carbonitrile
3amino2(2methoxyphenyl)1thioxo125678hexahydroisoquinoline4carbonitrile
903866864
COC1=CC=CC=C1N2C(=C(C3=C(C2=S)CCCC3)C#N)N
InChI=1SC17H17N3OSc12115954814(15)2016(19)13(1018)11623712(11)17(20)22h4589H236719H21H3
MFCD08292439
ZINC000006719325
ZINC06719325
ZINC6719325

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Available files

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