Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){2-(3,4-dichlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL043800
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCC[NH+]1CCOCC1)/[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 C29H34Cl2N2O5 MW 561.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34Cl2N2O5/c1-3-4-14-38-24-9-7-21(17-19(24)2)27(34)25-26(20-6-8-22(30)23(31)18-20)33(29(36)28(25)35)11-5-10-32-12-15-37-16-13-32/h6-9,17-18,26,34H,3-5,10-16H2,1-2H3/b27-25+InChIKey
LWGOVKPVVNITFD-IMVLJIQESA-NSynonyms
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(34DICHLOROPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(34dichlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(34DICHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=C(C=C4)Cl)Cl)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCC(NH+)1CCOCC1)(O)
InChI=1SC29H34Cl2N2O5c1341438249721(1719(24)2)27(34)2526(206822(30)23(31)1820)33(29(36)28(25)35)1151032121537161332h6917182634H351016H212H3b2725+
MFCD18248290
ZINC000102874652
ZINC000102874655
Check stock
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Check stock on Vitas-MAvailable files
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