Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]amino}prop-2-enenitrile
Catalog ID
STK536002
SMILES N#C/C(=C\Nc1ccc2c(c1)oc(=O)cc2C(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 C23H12F3N3O4S MW 483.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H12F3N3O4S/c24-23(25,26)16-7-21(30)33-19-6-14(2-3-15(16)19)28-9-13(8-27)22-29-17(10-34-22)12-1-4-18-20(5-12)32-11-31-18/h1-7,9-10,28H,11H2/b13-9+InChIKey
QWACWAGCPNGDKH-UKTHLTGXSA-NSynonyms
(2E)2(4(13benzodioxol5yl)13thiazol2yl)3((2oxo4(trifluoromethyl)2Hchromen7yl)amino)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3((2OXO4(TRIFLUOROMETHYL)CHROMEN7YL)AMINO)PROP2ENENITRILE
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3((2oxo4(trifluoromethyl)2Hchromen7yl)amino)acrylonitrile
C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CNC4=CC5=C(C=C4)C(=CC(=O)O5)C(F)(F)F)C#N
InChI=1SC23H12F3N3O4Sc2423(2526)16721(30)3319614(2315(16)19)28913(827)222917(103422)12141820(512)32113118h1791028H11H2b139+
MFCD02983093
N#CC(=CNc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000001297390
ZINC01297390
ZINC1297390
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