Vitas-M small molecule compound
(E)-(4-butoxyphenyl){1-[3-(dimethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL050577
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-5-6-16-35-20-11-8-18(9-12-20)25(31)23-24(19-10-13-21(30)22(17-19)34-4)29(27(33)26(23)32)15-7-14-28(2)3/h8-13,17,24,30-31H,5-7,14-16H2,1-4H3/b25-23+InChIKey
QGQGSBBLNDBQKI-WJTDDFOZSA-NSynonyms
842959-40-4(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(4HYDROXY3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxyphenyl)(1(3(dimethylammonio)propyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
842959404
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)O)OC)O
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCC(NH+)(C)C)(O)
InChI=1SC27H34N2O6c15616352011818(91220)25(31)2324(19101321(30)22(1719)344)29(27(33)26(23)32)1571428(2)3h81317243031H571416H214H3b2523+
MFCD18249339
ZINC000102887959
ZINC000102887962
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.