Vitas-M small molecule compound
2-chloro-5-{(4E)-3-methyl-5-oxo-4-[(2-oxo-1,2-dihydroquinolin-3-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK393613
SMILES CC1=NN(C(=O)/C/1=C/c1cc2ccccc2[nH]c1=O)c1ccc(c(c1)C(=O)O)Cl
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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 C21H14ClN3O4 MW 407.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O4/c1-11-15(9-13-8-12-4-2-3-5-18(12)23-19(13)26)20(27)25(24-11)14-6-7-17(22)16(10-14)21(28)29/h2-10H,1H3,(H,23,26)(H,28,29)/b15-9+InChIKey
QOMPWXBJYIGNBR-OQLLNIDSSA-NSynonyms
2chloro5((4E)3methyl5oxo4((2oxo12dihydroquinolin3yl)methylidene)45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=Cc1cc2ccccc2(nH)c1=O)c1ccc(c(c1)C(=O)O)Cl
MFCD02060594
ZINC000100147413
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