Vitas-M small molecule compound
ethyl 4-{(4Z)-4-[4-(acetyloxy)-3-methoxybenzylidene]-3-hydroxy-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Catalog ID
STL509165
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(c(c2)OC)OC(=O)C)/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 C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c1-4-30-22(28)15-6-8-16(9-7-15)24-21(27)17(20(26)23-24)11-14-5-10-18(31-13(2)25)19(12-14)29-3/h5-12H,4H2,1-3H3,(H,23,26)/b17-11-InChIKey
WNUPKCBSRQHGQB-BOPFTXTBSA-NSynonyms
134612750
ethyl4((4~(Z))4((4acetyloxy3methoxyphenyl)methylidene)35dioxopyrazolidin1yl)benzoate
ethyl4((4Z)4(4(acetyloxy)3methoxybenzylidene)3hydroxy5oxo45dihydro1Hpyrazol1yl)benzoate
InChI=1SC22H20N2O7c143022(28)156816(9715)2421(27)17(20(26)2324)111451018(3113(2)25)19(1214)293h512H4H213H3(H2326)b1711
MFCD31657825
ZINC001505840482
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