Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK561191
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C25H32N2O4S MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O4S/c1-5-6-14-31-19-11-10-18(16-17(19)2)23(28)21-22(20-9-7-15-32-20)27(25(30)24(21)29)13-8-12-26(3)4/h7,9-11,15-16,22,28H,5-6,8,12-14H2,1-4H3/b23-21+InChIKey
LHANDJCABWBEHV-XTQSDGFTSA-NSynonyms
489463-64-1(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(3(dimethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
489463641
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=CS3)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)(C)C)(O)
InChI=1SC25H32N2O4Sc156143119111018(1617(19)2)23(28)2122(2097153220)27(25(30)24(21)29)1381226(3)4h791115162228H5681214H214H3b2321+
MFCD18243725
ZINC000102502092
ZINC000102502098
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.