Vitas-M small molecule compound
3-thioxo-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Catalog ID
STK352636
SMILES N#Cc1c(=S)[nH]c(c2c1CCCC2)C(F)(F)F
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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 C11H9F3N2S MW 258.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9F3N2S/c12-11(13,14)9-7-4-2-1-3-6(7)8(5-15)10(17)16-9/h1-4H2,(H,16,17)InChIKey
MAWZDKCTPKZVMI-UHFFFAOYSA-NSynonyms
326616-08-43sulfanylidene1(trifluoromethyl)5678tetrahydro2Hisoquinoline4carbonitrile
3thioxo1(trifluoromethyl)235678hexahydroisoquinoline4carbonitrile
C1CCC2=C(NC(=S)C(=C2C1)C#N)C(F)(F)F
InChI=1SC11H9F3N2Sc1211(1314)9742136(7)8(515)10(17)169h14H2(H1617)
MFCD02253841
N#Cc1c(=S)(nH)c(c2c1CCCC2)C(F)(F)F
ZINC02738246
ZINC2738246
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