Vitas-M small molecule compound

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

Catalog ID
STL038652
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCC[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 C28H36N2O5 MW 480.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O5/c1-6-29(7-2)16-9-17-30-25(21-14-15-22(35-8-3)23(18-21)34-5)24(27(32)28(30)33)26(31)20-12-10-19(4)11-13-20/h10-15,18,25,31H,6-9,16-17H2,1-5H3/b26-24+
InChIKey
JKOBUOXPMMFOBM-SHHOIMCASA-N
Synonyms
608108-18-5
(4E)1(3(DIETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
608108185
CC(NH+)(CC)CCCN1C(C(=C(C2=CC=C(C=C2)C)(O))C(=O)C1=O)C3=CC(=C(C=C3)OCC)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC28H36N2O5c1629(72)169173025(21141522(3583)23(1821)345)24(27(32)28(30)33)26(31)20121019(4)111320h1015182531H691617H215H3b2624+
MFCD18247678
ZINC000009232925
ZINC000009232932

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Available files

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