Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK560778
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(c(c2)C)OC)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C
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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/c1-7-35-21-12-9-18(16-22(21)34-6)24-23(25(30)19-10-11-20(33-5)17(2)15-19)26(31)27(32)29(24)14-8-13-28(3)4/h9-12,15-16,24,30H,7-8,13-14H2,1-6H3/b25-23+InChIKey
SYVHUUSNVPDGHO-WJTDDFOZSA-NSynonyms
460045-53-8(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
460045538
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(c(c2)C)OC)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC27H34N2O6c17352112918(1622(21)346)2423(25(30)19101120(335)17(2)1519)26(31)27(32)29(24)1481328(3)4h91215162430H781314H216H3b2523+
MFCD18243630
ZINC000102498860
ZINC000102498867
Check stock
See real-time availability and sample size for STK560778 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.