Vitas-M small molecule compound
4-{(4E)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK038790
SMILES CCOc1cc(ccc1OCC#C)/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 C23H20N2O5 MW 404.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5/c1-4-12-30-20-11-6-16(14-21(20)29-5-2)13-19-15(3)24-25(22(19)26)18-9-7-17(8-10-18)23(27)28/h1,6-11,13-14H,5,12H2,2-3H3,(H,27,28)/b19-13+InChIKey
DRNQWDNNNMHQCR-CPNJWEJPSA-NSynonyms
4((4E)4((3ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
4((4E)4(3ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OCC#C
CCOc1cc(ccc1OCC#C)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC23H20N2O5c1412302011616(1421(20)2952)131915(3)2425(22(19)26)189717(81018)23(27)28h16111314H512H223H3(H2728)b1913+
MFCD02909131
STK038790
ZINC000004616429
ZINC4616429
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