Vitas-M small molecule compound

(E)-(4-butoxy-3-methylphenyl){2-(3,4-dichlorophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK560327
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CC[NH+](CC)CC)/[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 C28H34Cl2N2O4 MW 533.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34Cl2N2O4/c1-5-8-15-36-23-12-10-20(16-18(23)4)26(33)24-25(19-9-11-21(29)22(30)17-19)32(28(35)27(24)34)14-13-31(6-2)7-3/h9-12,16-17,25,33H,5-8,13-15H2,1-4H3/b26-24+
InChIKey
XWXZAMJUPXYSJM-SHHOIMCASA-N
Synonyms
488862-18-6
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(34DICHLOROPHENYL)1(2DIETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(34dichlorophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(34DICHLOROPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488862186
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(CC)CC)C3=CC(=C(C=C3)Cl)Cl)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CC(NH+)(CC)CC)(O)
InChI=1SC28H34Cl2N2O4c158153623121020(1618(23)4)26(33)2425(1991121(29)22(30)1719)32(28(35)27(24)34)141331(62)73h91216172533H581315H214H3b2624+
MFCD18243503
ZINC000102495125
ZINC000102495131

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Available files

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