Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Catalog ID
STK565577
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)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 C27H34N2O4 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O4/c1-5-6-17-33-22-14-13-21(18-19(22)2)25(30)23-24(20-11-8-7-9-12-20)29(27(32)26(23)31)16-10-15-28(3)4/h7-9,11-14,18,24,30H,5-6,10,15-17H2,1-4H3/b25-23+InChIKey
UHDSVRGEIFPFMR-WJTDDFOZSA-NSynonyms
488852-85-3(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PHENYLPYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(3(dimethylammonio)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
488852853
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=CC=C3)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)(C)C)(O)
InChI=1SC27H34N2O4c156173322141321(1819(22)2)25(30)2324(20118791220)29(27(32)26(23)31)16101528(3)4h791114182430H56101517H214H3b2523+
MFCD18244826
ZINC000102535972
ZINC000102535981
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