Vitas-M small molecule compound
(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Catalog ID
STK522889
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)/C=C(/C(=O)Nc1cc(ccc1Cl)C(F)(F)F)\C#N
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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 C26H19Cl2F3N2O3 MW 535.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19Cl2F3N2O3/c1-2-35-24-12-17(5-10-23(24)36-15-16-3-7-20(27)8-4-16)11-18(14-32)25(34)33-22-13-19(26(29,30)31)6-9-21(22)28/h3-13H,2,15H2,1H3,(H,33,34)/b18-11+InChIKey
LYXWZUNUCQBXJC-WOJGMQOQSA-NSynonyms
(2E)3(4((4chlorobenzyl)oxy)3ethoxyphenyl)N(2chloro5(trifluoromethyl)phenyl)2cyanoprop2enamide
(E)3(4((4CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)2CYANOPROP2ENAMIDE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OCC3=CC=C(C=C3)Cl
CCOc1cc(ccc1OCc1ccc(cc1)Cl)C=C(C(=O)Nc1cc(ccc1Cl)C(F)(F)F)C#N
InChI=1SC26H19Cl2F3N2O3c1235241217(51023(24)3615163720(27)8416)1118(1432)25(34)33221319(26(2930)31)6921(22)28h313H215H21H3(H3334)b1811+
MFCD03155078
ZINC000003232108
ZINC3232108
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