Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Catalog ID
STK834202
SMILES N#C/C(=C\Nc1cccc(c1)C(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 C20H12F3N3O2S MW 415.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12F3N3O2S/c21-20(22,23)14-2-1-3-15(7-14)25-9-13(8-24)19-26-16(10-29-19)12-4-5-17-18(6-12)28-11-27-17/h1-7,9-10,25H,11H2/b13-9+InChIKey
HQAAYJWSJFPELO-UKTHLTGXSA-NSynonyms
330209-22-8(2E)2(4(13benzodioxol5yl)13thiazol2yl)3((3(trifluoromethyl)phenyl)amino)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(3(TRIFLUOROMETHYL)ANILINO)PROP2ENENITRILE
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3((3(trifluoromethyl)phenyl)amino)acrylonitrile
330209228
C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CNC4=CC=CC(=C4)C(F)(F)F)C#N
InChI=1SC20H12F3N3O2Sc2120(2223)1421315(714)25913(824)192616(102919)12451718(612)28112717h1791025H11H2b139+
MFCD01948258
N#CC(=CNc1cccc(c1)C(F)(F)F)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000002281360
ZINC02281360
ZINC2281360
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