Vitas-M small molecule compound
(E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL044805
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)C)OC)\[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/c1-4-34-21-10-7-19(8-11-21)24-23(25(30)20-9-12-22(33-3)17(2)14-20)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
BREUSJVLRPXROP-WJTDDFOZSA-NSynonyms
488709-27-9(4E)5(4ETHOXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(2(4ethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
488709279
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
CCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)C)OC)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H26N2O5c14342110719(81121)2423(25(30)2091222(333)17(2)1420)26(31)27(32)29(24)16186513281518h5152430H416H213H3b2523+
MFCD18248493
ZINC000102881392
ZINC000102881398
Check stock
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Check stock on Vitas-MAvailable files
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