Vitas-M small molecule compound
3-{(4Z)-4-[4-(benzyloxy)-3-methoxybenzylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STL432644
SMILES COc1cc(ccc1OCc1ccccc1)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)c1ccccc1
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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 C31H24N2O5 MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N2O5/c1-37-28-18-22(15-16-27(28)38-20-21-9-4-2-5-10-21)17-26-29(23-11-6-3-7-12-23)32-33(30(26)34)25-14-8-13-24(19-25)31(35)36/h2-19H,20H2,1H3,(H,35,36)/b26-17-InChIKey
AARHLYKVVYDXCA-ONUIUJJFSA-NSynonyms
3((4Z)4((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)5OXO3PHENYLPYRAZOL1YL)BENZOICACID
3((4Z)4(4(benzyloxy)3methoxybenzylidene)5oxo3phenyl45dihydro1Hpyrazol1yl)benzoicacid
COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)OCC5=CC=CC=C5
COc1cc(ccc1OCc1ccccc1)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)c1ccccc1
InChI=1SC31H24N2O5c137281822(151627(28)38202194251021)172629(23116371223)3233(30(26)34)251481324(1925)31(35)36h219H20H21H3(H3536)b2617
MFCD04085178
ZINC000016214826
ZINC16214826
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