Vitas-M small molecule compound

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

Catalog ID
STL149352
SMILES CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)OCC)\[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 C29H38N2O6 MW 510.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O6/c1-6-18-37-23-15-12-21(19-24(23)35-5)26-25(27(32)20-10-13-22(14-11-20)36-9-4)28(33)29(34)31(26)17-16-30(7-2)8-3/h10-15,19,26,32H,6-9,16-18H2,1-5H3/b27-25+
InChIKey
BKEWSUPUMHSDOV-IMVLJIQESA-N
Synonyms
636988-02-8
(4E)1(2(diethylamino)ethyl)4((4ethoxyphenyl)hydroxymethylidene)5(3methoxy4propoxyphenyl)pyrrolidine23dione
(4E)1(2DIETHYLAMINOETHYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(3METHOXY4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(3methoxy4propoxyphenyl)45dioxopyrrolidin3ylidene)(4ethoxyphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3METHOXY4PROPOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY5(3METHOXY4PROPOXYPHENYL)3PYRROLIN2ONE
636988028
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC)O)C(=O)C(=O)N2CCN(CC)CC)OC
CCCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)OCC)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC29H38N2O6c16183723151221(1924(23)355)2625(27(32)20101322(141120)3694)28(33)29(34)31(26)171630(72)83h1015192632H691618H215H3b2725+
MFCD20755587
ZINC000009234862
ZINC000009234864

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Available files

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