Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate

Catalog ID
STL151158
SMILES CCOc1ccc(cc1OC)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 C26H32N2O5 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O5/c1-5-27(6-2)15-16-28-23(19-13-14-20(33-7-3)21(17-19)32-4)22(25(30)26(28)31)24(29)18-11-9-8-10-12-18/h8-14,17,23,29H,5-7,15-16H2,1-4H3/b24-22+
InChIKey
XMPMBEFDLWBRRI-ZNTNEXAZSA-N
Synonyms
638134-17-5
(4E)1(2DIETHYLAMINOETHYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
1(2(DIETHYLAMINO)ETHYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY4(PHENYLCARBONYL)3PYRROLIN2ONE
638134175
CC(NH+)(CC)CCN1C(C(=C(C2=CC=CC=C2)(O))C(=O)C1=O)C3=CC(=C(C=C3)OCC)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC26H32N2O5c1527(62)15162823(19131420(3373)21(1719)324)22(25(30)26(28)31)24(29)181198101218h814172329H571516H214H3b2422+
MFCD20755992
ZINC000008836660
ZINC000102933100

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Available files

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