Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(phenyl)methanolate

Catalog ID
STL047847
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CC[NH+](CC)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 C26H32N2O4 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O4/c1-4-18-32-21-14-12-19(13-15-21)23-22(24(29)20-10-8-7-9-11-20)25(30)26(31)28(23)17-16-27(5-2)6-3/h7-15,23,29H,4-6,16-18H2,1-3H3/b24-22+
InChIKey
IZYSHERZLXXOCM-ZNTNEXAZSA-N
Synonyms
615271-02-8
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(PHENYL)METHYLIDENE)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
1(2(DIETHYLAMINO)ETHYL)3HYDROXY4(PHENYLCARBONYL)5(4PROPOXYPHENYL)3PYRROLIN2ONE
615271028
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCOc1ccc(cc1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC26H32N2O4c14183221141219(131521)2322(24(29)20108791120)25(30)26(31)28(23)171627(52)63h7152329H461618H213H3b2422+
MFCD18249151
ZINC000009071804
ZINC000009071819

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Available files

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