Vitas-M small molecule compound
3-[(4Z)-3-methyl-5-oxo-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK378578
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1ccc2c(c1)COC2=O)c1cccc(c1)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 C24H16N2O6 MW 428.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N2O6/c1-13-20(22(27)26(25-13)17-4-2-3-15(10-17)23(28)29)11-18-6-8-21(32-18)14-5-7-19-16(9-14)12-31-24(19)30/h2-11H,12H2,1H3,(H,28,29)/b20-11-InChIKey
TVHZJPKUSFDCDC-JAIQZWGSSA-NSynonyms
(Z)3(3methyl5oxo4((5(1oxo13dihydroisobenzofuran5yl)furan2yl)methylene)45dihydro1Hpyrazol1yl)benzoicacid
3((4Z)3methyl5oxo4((5(1oxo13dihydro2benzofuran5yl)furan2yl)methylidene)45dihydro1Hpyrazol1yl)benzoicacid
3((4Z)3METHYL5OXO4((5(1OXO3H2BENZOFURAN5YL)FURAN2YL)METHYLIDENE)PYRAZOL1YL)BENZOICACID
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc2c(c1)COC2=O)c1cccc(c1)C(=O)O
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC4=C(C=C3)C(=O)OC4)C5=CC=CC(=C5)C(=O)O
InChI=1SC24H16N2O6c11320(22(27)26(2513)1742315(1017)23(28)29)11186821(3218)14571916(914)123124(19)30h211H12H21H3(H2829)b2011
MFCD01836790
ZINC000013799427
ZINC13799427
Check stock
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Check stock on Vitas-MAvailable files
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