Vitas-M small molecule compound
(2E)-3-[2-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Catalog ID
STK472886
SMILES CCOc1cc(/C=C(/C(=O)Nc2cc(ccc2Cl)C(F)(F)F)\C#N)c(cc1OC(C)C)Br
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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 C22H19BrClF3N2O3 MW 531.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrClF3N2O3/c1-4-31-19-8-13(16(23)10-20(19)32-12(2)3)7-14(11-28)21(30)29-18-9-15(22(25,26)27)5-6-17(18)24/h5-10,12H,4H2,1-3H3,(H,29,30)/b14-7+InChIKey
QDAKNNXWQJIEOK-VGOFMYFVSA-NSynonyms
(2E)3(2BROMO5ETHOXY4(METHYLETHOXY)PHENYL)N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)2CYANOPROP2ENAMIDE
(2E)3(2bromo5ethoxy4(propan2yloxy)phenyl)N(2chloro5(trifluoromethyl)phenyl)2cyanoprop2enamide
(E)3(2bromo5ethoxy4propan2yloxyphenyl)N(2chloro5(trifluoromethyl)phenyl)2cyanoprop2enamide
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Br)OC(C)C
CCOc1cc(C=C(C(=O)Nc2cc(ccc2Cl)C(F)(F)F)C#N)c(cc1OC(C)C)Br
InChI=1SC22H19BrClF3N2O3c143119813(16(23)1020(19)3212(2)3)714(1128)21(30)2918915(22(2526)27)5617(18)24h51012H4H213H3(H2930)b147+
MFCD07089202
ZINC000097965809
ZINC97965809
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