Vitas-M small molecule compound
ethyl 4-[(4Z)-3-hydroxy-4-(4-methoxybenzylidene)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STL509161
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(cc2)OC)/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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c1-3-27-20(25)14-6-8-15(9-7-14)22-19(24)17(18(23)21-22)12-13-4-10-16(26-2)11-5-13/h4-12H,3H2,1-2H3,(H,21,23)/b17-12-InChIKey
VQEWEPUUTNIFAT-ATVHPVEESA-NSynonyms
2253714
ethyl4((4~(Z))4((4methoxyphenyl)methylidene)35dioxopyrazolidin1yl)benzoate
ethyl4((4Z)3hydroxy4(4methoxybenzylidene)5oxo45dihydro1Hpyrazol1yl)benzoate
ETHYL4((4Z)4((4METHOXYPHENYL)METHYLIDENE)35DIOXOPYRAZOLIDIN1YL)BENZOATE
InChI=1SC20H18N2O5c132720(25)146815(9714)2219(24)17(18(23)2122)121341016(262)11513h412H3H212H3(H2123)b1712
MFCD31657821
ZINC000005010005
ZINC5010005
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