Vitas-M small molecule compound
ethyl 4-[(4E)-4-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STK219796
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C\c2cc(Cl)c(c(c2)OCC)O)/C1=O)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 C22H21ClN2O5 MW 428.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5/c1-4-29-19-12-14(11-18(23)20(19)26)10-17-13(3)24-25(21(17)27)16-8-6-15(7-9-16)22(28)30-5-2/h6-12,26H,4-5H2,1-3H3/b17-10+InChIKey
NYFQJEQXDRZTKH-LICLKQGHSA-NSynonyms
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2cc(Cl)c(c(c2)OCC)O)C1=O)C
ethyl4((4E)4(3chloro5ethoxy4hydroxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoate
MFCD02907158
ZINC000010059827
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