Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Catalog ID
STL151096
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OCC)OCC)CC[NH+](C)C)/[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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-6-33-20-12-9-18(10-13-20)25(30)23-24(29(16-15-28(4)5)27(32)26(23)31)19-11-14-21(34-7-2)22(17-19)35-8-3/h9-14,17,24,30H,6-8,15-16H2,1-5H3/b25-23+InChIKey
IPRYJXSATHOHEF-WJTDDFOZSA-NSynonyms
620123-93-5(4E)5(34diethoxyphenyl)1(2(dimethylamino)ethyl)4((4ethoxyphenyl)hydroxymethylidene)pyrrolidine23dione
(4E)5(34DIETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4ethoxyphenyl)methanolate
(E)(2(34DIETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
620123935
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)OCC)OCC)O
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OCC)OCC)CC(NH+)(C)C)(O)
InChI=1SC27H34N2O6c16332012918(101320)25(30)2324(29(161528(4)5)27(32)26(23)31)19111421(3472)22(1719)3583h914172430H681516H215H3b2523+
MFCD20755970
ZINC000102933003
ZINC000102933005
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.