Vitas-M small molecule compound

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

Catalog ID
STK561784
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/[O-])/C1c1ccc(cc1Cl)Cl)CC

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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 C25H28Cl2N2O4 MW 491.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28Cl2N2O4/c1-5-28(6-2)11-12-29-22(19-9-7-16(26)14-20(19)27)21(24(31)25(29)32)23(30)18-10-8-17(33-4)13-15(18)3/h7-10,13-14,22,30H,5-6,11-12H2,1-4H3/b23-21+
InChIKey
AEZNQILYXNSHTH-XTQSDGFTSA-N
Synonyms

(4E)5(24dichlorophenyl)1(2(diethylamino)ethyl)4(hydroxy(4methoxy2methylphenyl)methylidene)pyrrolidine23dione
(4E)5(24DICHLOROPHENYL)1(2DIETHYLAMINOETHYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(24dichlorophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(24DICHLOROPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2C)OC)(O))C1c1ccc(cc1Cl)Cl)CC
CCN(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OC)C)O)C(=O)C1=O)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC25H28Cl2N2O4c1528(62)11122922(199716(26)1420(19)27)21(24(31)25(29)32)23(30)1810817(334)1315(18)3h71013142230H561112H214H3b2321+
MFCD18243886
ZINC000102506956
ZINC000102506965

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.