Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL040156
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCC)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 C27H34N2O5 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O5/c1-5-18-34-22-14-10-20(11-15-22)25(30)23-24(19-8-12-21(13-9-19)33-6-2)29(27(32)26(23)31)17-7-16-28(3)4/h8-15,24,30H,5-7,16-18H2,1-4H3/b25-23+InChIKey
GAWAAZITCKRBNI-WJTDDFOZSA-NSynonyms
636989-78-1(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXYPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXYPHENYL)3HYDROXY4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
636989781
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)OCC)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OCC)CCC(NH+)(C)C)(O)
InChI=1SC27H34N2O5c15183422141020(111522)25(30)2324(1981221(13919)3362)29(27(32)26(23)31)1771628(3)4h8152430H571618H214H3b2523+
MFCD18247963
ZINC000102865298
ZINC000102865300
Check stock
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Check stock on Vitas-MAvailable files
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