Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){2-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL045753
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CCC[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 C29H38N2O6 MW 510.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O6/c1-7-8-16-37-22-12-11-21(17-19(22)2)27(32)25-26(20-10-13-23(35-5)24(18-20)36-6)31(29(34)28(25)33)15-9-14-30(3)4/h10-13,17-18,26,32H,7-9,14-16H2,1-6H3/b27-25+InChIKey
PWLLKKNBIHDREC-IMVLJIQESA-NSynonyms
489423-78-1(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(34DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(34dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(34DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
489423781
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=C(C=C3)OC)OC)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CCC(NH+)(C)C)(O)
InChI=1SC29H38N2O6c178163722121121(1719(22)2)27(32)2526(20101323(355)24(1820)366)31(29(34)28(25)33)1591430(3)4h101317182632H791416H216H3b2725+
MFCD18248704
ZINC000102878141
ZINC000102878144
Check stock
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Check stock on Vitas-MAvailable files
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