Vitas-M small molecule compound
(E)-(4-butoxy-2-methylphenyl){1-[3-(dimethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK560677
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)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 C28H36N2O6 MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O6/c1-6-7-15-36-20-10-11-21(18(2)16-20)26(32)24-25(19-9-12-22(31)23(17-19)35-5)30(28(34)27(24)33)14-8-13-29(3)4/h9-12,16-17,25,31-32H,6-8,13-15H2,1-5H3/b26-24+InChIKey
JLUSYKWFKIYWOP-SHHOIMCASA-NSynonyms
442567-03-5(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(4HYDROXY3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy2methylphenyl)(1(3(dimethylammonio)propyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY2METHYLPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
442567035
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)O)OC)O)C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCC(NH+)(C)C)(O)
InChI=1SC28H36N2O6c167153620101121(18(2)1620)26(32)2425(1991222(31)23(1719)355)30(28(34)27(24)33)1481329(3)4h9121617253132H681315H215H3b2624+
MFCD18243599
ZINC000102497959
ZINC000102497966
Check stock
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Check stock on Vitas-MAvailable files
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