Vitas-M small molecule compound
ethyl 3-{5-[(Z)-{1-[4-(methoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL432489
SMILES CCOC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)OC)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 C26H22N2O6 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O6/c1-4-33-26(31)19-7-5-6-18(14-19)23-13-12-21(34-23)15-22-16(2)27-28(24(22)29)20-10-8-17(9-11-20)25(30)32-3/h5-15H,4H2,1-3H3/b22-15-InChIKey
ULUOBSLVGYHDJC-JCMHNJIXSA-NSynonyms
CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)OC)C
CCOC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)OC)C
ethyl3(5((Z)(1(4(methoxycarbonyl)phenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoate
ethyl3(5((Z)(1(4methoxycarbonylphenyl)3methyl5oxopyrazol4ylidene)methyl)furan2yl)benzoate
InChI=1SC26H22N2O6c143326(31)1975618(1419)23131221(3423)152216(2)2728(24(22)29)2010817(91120)25(30)323h515H4H213H3b2215
MFCD03167700
ZINC000032099596
ZINC32099596
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