Vitas-M small molecule compound
4-[(1E)-2-cyano-3-oxo-3-{[2-(trifluoromethyl)phenyl]amino}prop-1-en-1-yl]-2-ethoxyphenyl 4-methoxybenzoate
Catalog ID
STK522709
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)/C=C(/C(=O)Nc1ccccc1C(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 C27H21F3N2O5 MW 510.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21F3N2O5/c1-3-36-24-15-17(8-13-23(24)37-26(34)18-9-11-20(35-2)12-10-18)14-19(16-31)25(33)32-22-7-5-4-6-21(22)27(28,29)30/h4-15H,3H2,1-2H3,(H,32,33)/b19-14+InChIKey
QHSRPVFKMGOMGF-XMHGGMMESA-NSynonyms
(4((E)2CYANO3OXO3(2(TRIFLUOROMETHYL)ANILINO)PROP1ENYL)2ETHOXYPHENYL)4METHOXYBENZOATE
4((1E)2cyano3oxo3((2(trifluoromethyl)phenyl)amino)prop1en1yl)2ethoxyphenyl4methoxybenzoate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(F)(F)F)OC(=O)C3=CC=C(C=C3)OC
CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)C=C(C(=O)Nc1ccccc1C(F)(F)F)C#N
InChI=1SC27H21F3N2O5c1336241517(81323(24)3726(34)1891120(352)121018)1419(1631)25(33)3222754621(22)27(2829)30h415H3H212H3(H3233)b1914+
MFCD03154966
ZINC000003231338
ZINC03231338
ZINC3231338
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