Vitas-M small molecule compound
ethyl 2-chloro-5-(5-{(E)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL388339
SMILES CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\C(=O)NN(C1=O)c1ccc(cc1)F
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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 C23H16ClFN2O5 MW 454.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClFN2O5/c1-2-31-23(30)17-11-13(3-9-19(17)24)20-10-8-16(32-20)12-18-21(28)26-27(22(18)29)15-6-4-14(25)5-7-15/h3-12H,2H2,1H3,(H,26,28)/b18-12+InChIKey
DKWXEEDNIMJWGT-LDADJPATSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)F)Cl
CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(cc1)F
ethyl2chloro5(5((E)(1(4fluorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
InChI=1SC23H16ClFN2O5c123123(30)171113(3919(17)24)2010816(3220)121821(28)2627(22(18)29)156414(25)5715h312H2H21H3(H2628)b1812+
MFCD28951059
ZINC000033772125
ZINC33772125
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