Vitas-M small molecule compound
3-{(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
STL378449
SMILES CC1=NN(C(=O)/C/1=C/c1cc2ccccc2[nH]c1=O)c1cccc(c1)C(=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 C21H15N3O4 MW 373.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O4/c1-12-17(11-15-9-13-5-2-3-8-18(13)22-19(15)25)20(26)24(23-12)16-7-4-6-14(10-16)21(27)28/h2-11H,1H3,(H,22,25)(H,27,28)/b17-11+InChIKey
QHWTXCGSYUIOEL-GZTJUZNOSA-NSynonyms
3((4E)3methyl5oxo4((2oxo12dihydroquinolin3yl)methylidene)45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=Cc1cc2ccccc2(nH)c1=O)c1cccc(c1)C(=O)O
MFCD02070654
ZINC000100147415
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