Vitas-M small molecule compound
(E)-[2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methylphenyl)methanolate
Catalog ID
STK559568
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-4-34-21-12-11-20(14-22(21)33-3)24-23(25(30)19-9-7-17(2)8-10-19)26(31)27(32)29(24)16-18-6-5-13-28-15-18/h5-15,24,30H,4,16H2,1-3H3/b25-23+InChIKey
MCWRYINZTCGGMI-WJTDDFOZSA-NSynonyms
636991-33-8(4E)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHOXY3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
(E)(2(4ethoxy3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methylphenyl)methanolate
5(4ETHOXY3METHOXYPHENYL)3HYDROXY4((4METHYLPHENYL)CARBONYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
636991338
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H26N2O5c143421121120(1422(21)333)2423(25(30)199717(2)81019)26(31)27(32)29(24)16186513281518h5152430H416H213H3b2523+
MFCD18243306
ZINC000102488361
ZINC000102488369
Check stock
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Check stock on Vitas-MAvailable files
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