Vitas-M small molecule compound
(E)-[2-(2-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL039994
SMILES CCOc1ccccc1C1/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/c1-4-34-22-10-6-5-9-20(22)24-23(25(30)19-11-12-21(33-3)17(2)14-19)26(31)27(32)29(24)16-18-8-7-13-28-15-18/h5-15,24,30H,4,16H2,1-3H3/b25-23+InChIKey
WHWFXTCBDFRXNV-WJTDDFOZSA-NSynonyms
498568-52-8(4E)5(2ETHOXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(2ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(2(2ethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
498568528
CCOC1=CC=CC=C1C2C(=C(C3=CC(=C(C=C3)OC)C)O)C(=O)C(=O)N2CC4=CN=CC=C4
CCOc1ccccc1C1C(=C(c2ccc(c(c2)C)OC)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H26N2O5c1434221065920(22)2423(25(30)19111221(333)17(2)1419)26(31)27(32)29(24)16188713281518h5152430H416H213H3b2523+
MFCD18247931
ZINC000102864800
ZINC000102864803
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.