Vitas-M small molecule compound
4-[(E)-{1-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl]-2-methoxyphenyl furan-2-carboxylate
Catalog ID
STL295940
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C\c2ccc(c(c2)OC)OC(=O)c2ccco2)/C1=O)O
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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 C25H20N2O8 MW 476.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O8/c1-3-33-24(30)16-7-9-17(10-8-16)27-23(29)18(22(28)26-27)13-15-6-11-19(21(14-15)32-2)35-25(31)20-5-4-12-34-20/h4-14H,3H2,1-2H3,(H,26,28)/b18-13+InChIKey
QALIHEAITYRYDK-QGOAFFKASA-NSynonyms
(4((E)(1(4ETHOXYCARBONYLPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENYL)FURAN2CARBOXYLATE
4((E)(1(4(ethoxycarbonyl)phenyl)3hydroxy5oxo15dihydro4Hpyrazol4ylidene)methyl)2methoxyphenylfuran2carboxylate
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(c(c2)OC)OC(=O)c2ccco2)C1=O)O
InChI=1SC25H20N2O8c133324(30)167917(10816)2723(29)18(22(28)2627)131561119(21(1415)322)3525(31)2054123420h414H3H212H3(H2628)b1813+
MFCD28033224
ZINC000001125813
ZINC1125813
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