Vitas-M small molecule compound
2-chloro-5-[(4Z)-4-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL431316
SMILES CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc(c1O)[N+](=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 C20H16ClN3O7 MW 445.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O7/c1-3-31-17-8-11(7-16(18(17)25)24(29)30)6-13-10(2)22-23(19(13)26)12-4-5-15(21)14(9-12)20(27)28/h4-9,25H,3H2,1-2H3,(H,27,28)/b13-6-InChIKey
OBQYLWVCTQOYAP-MLPAPPSSSA-NSynonyms
2chloro5((4Z)4(3ethoxy4hydroxy5nitrobenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CCOc1cc(C=C2C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc(c1O)(N+)(=O)(O)
MFCD03307215
ZINC000032099503
Check stock
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