Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK562090
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)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 C27H33ClN2O4 MW 485.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN2O4/c1-5-6-16-34-22-13-10-20(17-18(22)2)25(31)23-24(19-8-11-21(28)12-9-19)30(27(33)26(23)32)15-7-14-29(3)4/h8-13,17,24,31H,5-7,14-16H2,1-4H3/b25-23+InChIKey
FOXWBAYLXMIUII-WJTDDFOZSA-NSynonyms
489441-07-8(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(4CHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(4chlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(4CHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
489441078
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)Cl)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCC(NH+)(C)C)(O)
InChI=1SC27H33ClN2O4c156163422131020(1718(22)2)25(31)2324(1981121(28)12919)30(27(33)26(23)32)1571429(3)4h813172431H571416H214H3b2523+
MFCD18243961
ZINC000102509535
ZINC000102509542
Check stock
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Check stock on Vitas-MAvailable files
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