Vitas-M small molecule compound
methyl 4-[(4E)-4-({5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STK680018
SMILES CCOC(=O)c1ccc(cc1)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)19-7-5-17(6-8-19)23-14-13-21(34-23)15-22-16(2)27-28(24(22)29)20-11-9-18(10-12-20)25(30)32-3/h5-15H,4H2,1-3H3/b22-15+InChIKey
ZHOZCFXLEDFKEB-PXLXIMEGSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)OC)CCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)OC)C
ETHYL4(5((E)(1(4METHOXYCARBONYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOATE
methyl4((4E)4((5(4(ethoxycarbonyl)phenyl)furan2yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoate
Registry IDs
MFCD03764383ZINC000015276568
ZINC15276568
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