Vitas-M small molecule compound
4-{(4Z)-3-methyl-5-oxo-4-[3-(prop-2-yn-1-yloxy)benzylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK219815
SMILES C#CCOc1cccc(c1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)O)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 C21H16N2O4 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4/c1-3-11-27-18-6-4-5-15(12-18)13-19-14(2)22-23(20(19)24)17-9-7-16(8-10-17)21(25)26/h1,4-10,12-13H,11H2,2H3,(H,25,26)/b19-13-InChIKey
PMNVTPGRUCXEOT-UYRXBGFRSA-NSynonyms
4((4Z)3METHYL5OXO4((3PROP2YNOXYPHENYL)METHYLIDENE)PYRAZOL1YL)BENZOICACID
4((4Z)3METHYL5OXO4(3(PROP2YN1YLOXY)BENZYLIDENE)45DIHYDRO1HPYRAZOL1YL)BENZOICACID
C#CCOc1cccc(c1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OCC#C)C3=CC=C(C=C3)C(=O)O
InChI=1SC21H16N2O4c1311271864515(1218)131914(2)2223(20(19)24)179716(81017)21(25)26h14101213H11H22H3(H2526)b1913
MFCD03307217
ZINC000013838369
ZINC13838369
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