Vitas-M small molecule compound
(E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK561666
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCC)c1cccc[nH+]1)/[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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-3-17-34-21-14-10-19(11-15-21)25(30)23-24(18-8-12-20(13-9-18)33-4-2)29(27(32)26(23)31)22-7-5-6-16-28-22/h3,5-16,24,30H,1,4,17H2,2H3/b25-23+InChIKey
ZSGWHQORAKYAKY-WJTDDFOZSA-NSynonyms
636992-25-1(4E)5(4ETHOXYPHENYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(4ethoxyphenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
5(4ETHOXYPHENYL)3HYDROXY4((4PROP2ENYLOXYPHENYL)CARBONYL)1(2PYRIDYL)3PYRROLIN2ONE
636992251
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OCC)c1cccc(nH+)1)(O)
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2C4=CC=CC=N4
InChI=1SC27H24N2O5c13173421141019(111521)25(30)2324(1881220(13918)3342)29(27(32)26(23)31)22756162822h35162430H1417H22H3b2523+
MFCD18243855
ZINC000101287651
ZINC000101287655
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