Vitas-M small molecule compound
2-{[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK856596
SMILES N#Cc1c(SCC(=O)N)nc2c(c1C(F)(F)F)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 C13H12F3N3OS MW 315.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N3OS/c14-13(15,16)11-7-3-1-2-4-9(7)19-12(8(11)5-17)21-6-10(18)20/h1-4,6H2,(H2,18,20)InChIKey
QDJOKSRODWFJOY-UHFFFAOYSA-NSynonyms
905773-30-02((3cyano4(trifluoromethyl)5678tetrahydroquinolin2yl)sulfanyl)acetamide
2((3cyano4(trifluoromethyl)5678tetrahydroquinolin2yl)thio)acetamide
905773300
C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)N)C#N)C(F)(F)F
InChI=1SC13H12F3N3OSc1413(1516)11731249(7)1912(8(11)517)21610(18)20h146H2(H21820)
MFCD08844865
ZINC000008993264
ZINC08993264
ZINC8993264
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