Vitas-M small molecule compound
4-[(4Z)-5-oxo-4-[(2E)-3-phenylprop-2-en-1-ylidene]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL378445
SMILES O=C1N(N=C(/C/1=C/C=C/c1ccccc1)C(F)(F)F)c1ccc(cc1)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 C20H13F3N2O3 MW 386.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13F3N2O3/c21-20(22,23)17-16(8-4-7-13-5-2-1-3-6-13)18(26)25(24-17)15-11-9-14(10-12-15)19(27)28/h1-12H,(H,27,28)/b7-4+,16-8-InChIKey
NWOYXNUTYQGQLD-QSJINSDNSA-NSynonyms
4((4Z)5oxo4((2E)3phenylprop2en1ylidene)3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoicacid
4((4Z)5OXO4((E)3PHENYLPROP2ENYLIDENE)3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOICACID
C1=CC=C(C=C1)C=CC=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F
InChI=1SC20H13F3N2O3c2120(2223)1716(847135213613)18(26)25(2417)1511914(101215)19(27)28h112H(H2728)b74+168
MFCD03146238
O=C1N(N=C(C1=CC=Cc1ccccc1)C(F)(F)F)c1ccc(cc1)C(=O)O
ZINC000003767559
ZINC3767559
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