Vitas-M small molecule compound
ethyl 4-[(4Z)-4-(5-chloro-2-hydroxy-3-methoxybenzylidene)-3-hydroxy-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STL511977
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2cc(Cl)cc(c2O)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 C20H17ClN2O6 MW 416.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6/c1-3-29-20(27)11-4-6-14(7-5-11)23-19(26)15(18(25)22-23)9-12-8-13(21)10-16(28-2)17(12)24/h4-10,24H,3H2,1-2H3,(H,22,25)/b15-9-InChIKey
RIMMUIYBEJYZPM-DHDCSXOGSA-NSynonyms
2283549
ethyl4((4~(Z))4((5chloro2hydroxy3methoxyphenyl)methylidene)35dioxopyrazolidin1yl)benzoate
ethyl4((4Z)4(5chloro2hydroxy3methoxybenzylidene)3hydroxy5oxo45dihydro1Hpyrazol1yl)benzoate
MFCD31751954
ZINC000004675192
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