Vitas-M small molecule compound
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Catalog ID
STK804005
SMILES N#C/C(=C/Nc1cc(ccc1Cl)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 C20H11ClF3N3O2S MW 449.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11ClF3N3O2S/c21-14-3-2-13(20(22,23)24)6-15(14)26-8-12(7-25)19-27-16(9-30-19)11-1-4-17-18(5-11)29-10-28-17/h1-6,8-9,26H,10H2/b12-8-InChIKey
LQYOZSBDKBQDPM-WQLSENKSSA-NSynonyms
(2Z)2(4(13benzodioxol5yl)13thiazol2yl)3((2chloro5(trifluoromethyl)phenyl)amino)prop2enenitrile
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3((2chloro5(trifluoromethyl)phenyl)amino)acrylonitrile
(Z)2(4(13benzodioxol5yl)13thiazol2yl)3(2chloro5(trifluoromethyl)anilino)prop2enenitrile
C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CNC4=C(C=CC(=C4)C(F)(F)F)Cl)C#N
InChI=1SC20H11ClF3N3O2Sc21143213(20(2223)24)615(14)26812(725)192716(93019)11141718(511)29102817h168926H10H2b128
MFCD02641432
N#CC(=CNc1cc(ccc1Cl)C(F)(F)F)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000001191173
ZINC1191173
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