Vitas-M small molecule compound
3-[(1E)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyano-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Catalog ID
STK362087
SMILES COc1ccc(cc1)C(=O)Oc1cccc(c1)/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 C25H16ClF3N2O4 MW 500.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClF3N2O4/c1-34-19-8-5-16(6-9-19)24(33)35-20-4-2-3-15(12-20)11-17(14-30)23(32)31-22-13-18(25(27,28)29)7-10-21(22)26/h2-13H,1H3,(H,31,32)/b17-11+InChIKey
OJMNNDDWHPAOCJ-GZTJUZNOSA-NSynonyms
342581-90-2(3((E)3(2CHLORO5(TRIFLUOROMETHYL)ANILINO)2CYANO3OXOPROP1ENYL)PHENYL)4METHOXYBENZOATE
3((1E)3((2CHLORO5(TRIFLUOROMETHYL)PHENYL)AMINO)2CYANO3OXOPROP1EN1YL)PHENYL4METHOXYBENZOATE
342581902
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
COc1ccc(cc1)C(=O)Oc1cccc(c1)C=C(C(=O)Nc1cc(ccc1Cl)C(F)(F)F)C#N
InChI=1SC25H16ClF3N2O4c134198516(6919)24(33)352042315(1220)1117(1430)23(32)31221318(25(2728)29)71021(22)26h213H1H3(H3132)b1711+
MFCD02604716
ZINC000016185142
ZINC16185142
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