Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(2-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK563812
SMILES CCOc1ccccc1C1/C(=C(/c2ccc(c(c2)C)OC)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC
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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 C27H34N2O5 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O5/c1-6-28(7-2)15-16-29-24(20-11-9-10-12-22(20)34-8-3)23(26(31)27(29)32)25(30)19-13-14-21(33-5)18(4)17-19/h9-14,17,24,30H,6-8,15-16H2,1-5H3/b25-23+InChIKey
ZVAYRRMZRYGNFD-WJTDDFOZSA-NSynonyms
496773-33-2(4E)1(2DIETHYLAMINOETHYL)5(2ETHOXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(2ethoxyphenyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(2ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
496773332
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OC)C)(O))C(=O)C1=O)C3=CC=CC=C3OCC
CCOc1ccccc1C1C(=C(c2ccc(c(c2)C)OC)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC27H34N2O5c1628(72)15162924(20119101222(20)3483)23(26(31)27(29)32)25(30)19131421(335)18(4)1719h914172430H681516H215H3b2523+
MFCD18244390
ZINC000102523612
ZINC000102523623
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.