Vitas-M small molecule compound
4-{(4E)-4-[4-(acetyloxy)-3-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STL170971
SMILES COc1cc(ccc1OC(=O)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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-12-17(10-14-4-9-18(29-13(2)24)19(11-14)28-3)20(25)23(22-12)16-7-5-15(6-8-16)21(26)27/h4-11H,1-3H3,(H,26,27)/b17-10+InChIKey
CVBSKEXTHKCKRC-LICLKQGHSA-NSynonyms
354998-07-5354998075
4((4E)4((4acetyloxy3methoxyphenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
4((4E)4(4(acetyloxy)3methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C)OC)C3=CC=C(C=C3)C(=O)O
COc1cc(ccc1OC(=O)C)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC21H18N2O6c11217(10144918(2913(2)24)19(1114)283)20(25)23(2212)167515(6816)21(26)27h411H13H3(H2627)b1710+
MFCD01466071
ZINC000005477060
ZINC5477060
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