Vitas-M small molecule compound
4-[(4Z)-4-{3-ethoxy-4-[(thiophen-2-ylcarbonyl)oxy]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL432487
SMILES CCOc1cc(ccc1OC(=O)c1cccs1)/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 C25H20N2O6S MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6S/c1-3-32-21-14-16(6-11-20(21)33-25(31)22-5-4-12-34-22)13-19-15(2)26-27(23(19)28)18-9-7-17(8-10-18)24(29)30/h4-14H,3H2,1-2H3,(H,29,30)/b19-13-InChIKey
ODQKSXDFRYPYQM-UYRXBGFRSA-NSynonyms
4((4Z)4((3ETHOXY4(THIOPHENE2CARBONYLOXY)PHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
4((4Z)4(3ethoxy4((thiophen2ylcarbonyl)oxy)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OC(=O)C4=CC=CS4
CCOc1cc(ccc1OC(=O)c1cccs1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC25H20N2O6Sc1332211416(61120(21)3325(31)2254123422)131915(2)2627(23(19)28)189717(81018)24(29)30h414H3H212H3(H2930)b1913
MFCD03145359
ZINC000022289163
ZINC22289163
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