Vitas-M small molecule compound
3-[(4Z)-4-(4-ethylbenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK025376
SMILES CCc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1cccc(c1)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 C20H18N2O3 MW 334.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3/c1-3-14-7-9-15(10-8-14)11-18-13(2)21-22(19(18)23)17-6-4-5-16(12-17)20(24)25/h4-12H,3H2,1-2H3,(H,24,25)/b18-11-InChIKey
AXLAIOMVPSVLFP-WQRHYEAKSA-NSynonyms
3((4Z)4((4ETHYLPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
3((4Z)4(4ETHYLBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
CCC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C
CCc1ccc(cc1)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C
InChI=1SC20H18N2O3c13147915(10814)111813(2)2122(19(18)23)1764516(1217)20(24)25h412H3H212H3(H2425)b1811
MFCD03134752
STK025376
ZINC000004592198
ZINC4592198
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