Vitas-M small molecule compound
2-chloro-5-(4-ethyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Catalog ID
STL507413
SMILES CCC1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)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 C13H13ClN2O3 MW 280.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClN2O3/c1-3-9-7(2)15-16(12(9)17)8-4-5-11(14)10(6-8)13(18)19/h4-6,9H,3H2,1-2H3,(H,18,19)InChIKey
IKGSBSPRJRRTIS-UHFFFAOYSA-NSynonyms
132452266
2chloro5(4ethyl3methyl5oxo4~(H)pyrazol1yl)benzoicacid
2chloro5(4ethyl3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
InChI=1SC13H13ClN2O3c1397(2)1516(12(9)17)84511(14)10(68)13(18)19h469H3H212H3(H1819)
MFCD31615116
ZINC001505840625
ZINC001505840626
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