Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-({2-[(trifluoromethyl)sulfanyl]phenyl}amino)prop-2-enenitrile
Catalog ID
STK537649
SMILES N#C/C(=C\Nc1ccccc1SC(F)(F)F)/c1scc(n1)c1ccc2c(c1)OCO2
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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 C20H12F3N3O2S2 MW 447.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12F3N3O2S2/c21-20(22,23)30-18-4-2-1-3-14(18)25-9-13(8-24)19-26-15(10-29-19)12-5-6-16-17(7-12)28-11-27-16/h1-7,9-10,25H,11H2/b13-9+InChIKey
KGURAVBMKOSZJF-UKTHLTGXSA-NSynonyms
(2E)2(4(13benzodioxol5yl)13thiazol2yl)3((2((trifluoromethyl)sulfanyl)phenyl)amino)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(2(TRIFLUOROMETHYLSULFANYL)ANILINO)PROP2ENENITRILE
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3((2((trifluoromethyl)thio)phenyl)amino)acrylonitrile
C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CNC4=CC=CC=C4SC(F)(F)F)C#N
InChI=1SC20H12F3N3O2S2c2120(2223)3018421314(18)25913(824)192615(102919)12561617(712)28112716h1791025H11H2b139+
MFCD02983316
N#CC(=CNc1ccccc1SC(F)(F)F)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000009057836
ZINC09057836
ZINC9057836
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