Vitas-M small molecule compound
2-chloro-5-[(4E)-4-(4-{[(2-chloro-4,5-difluorophenyl)carbonyl]oxy}-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL368017
SMILES COc1cc(ccc1OC(=O)c1cc(F)c(cc1Cl)F)/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
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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 C26H16Cl2F2N2O6 MW 561.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16Cl2F2N2O6/c1-12-15(24(33)32(31-12)14-4-5-18(27)16(9-14)25(34)35)7-13-3-6-22(23(8-13)37-2)38-26(36)17-10-20(29)21(30)11-19(17)28/h3-11H,1-2H3,(H,34,35)/b15-7+InChIKey
IVVYOVLOKLOWIG-VIZOYTHASA-NSynonyms
2chloro5((4E)4((4(2chloro45difluorobenzoyl)oxy3methoxyphenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
2chloro5((4E)4(4(((2chloro45difluorophenyl)carbonyl)oxy)3methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3Cl)F)F)OC)C4=CC(=C(C=C4)Cl)C(=O)O
COc1cc(ccc1OC(=O)c1cc(F)c(cc1Cl)F)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
InChI=1SC26H16Cl2F2N2O6c11215(24(33)32(3112)144518(27)16(914)25(34)35)7133622(23(813)372)3826(36)171020(29)21(30)1119(17)28h311H12H3(H3435)b157+
MFCD01359699
ZINC000105965877
ZINC105965877
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