Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK559600
SMILES C=CCOc1ccc(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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/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/h5,8-15,24,30H,1,6-7,16-18H2,2-4H3/b25-23+InChIKey
WUOJUTMXNRPAPO-WJTDDFOZSA-NSynonyms
799838-80-5(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXYPHENYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
799838805
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OCC)CCC(NH+)(C)C)(O)
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CCCN(C)C
InChI=1SC27H32N2O5c15183422141020(111522)25(30)2324(1981221(13919)3362)29(27(32)26(23)31)1771628(3)4h58152430H1671618H224H3b2523+
MFCD18243313
ZINC000101287623
ZINC000101287628
Check stock
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Check stock on Vitas-MAvailable files
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