Vitas-M small molecule compound

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

Catalog ID
STL039849
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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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/c1-6-33-20-13-12-19(16-21(20)32-5)23-22(24(29)18-10-8-17(2)9-11-18)25(30)26(31)28(23)15-7-14-27(3)4/h8-13,16,23,29H,6-7,14-15H2,1-5H3/b24-22+
InChIKey
CQEJMCWKJAYGGM-ZNTNEXAZSA-N
Synonyms
638134-13-1
(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY4(4METHYLBENZOYL)15DIHYDRO2HPYRROL2ONE
638134131
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)O)C(=O)C(=O)N2CCCN(C)C)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC26H32N2O5c163320131219(1621(20)325)2322(24(29)1810817(2)91118)25(30)26(31)28(23)1571427(3)4h813162329H671415H215H3b2422+
MFCD18247909
ZINC000009046778
ZINC000009046779

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Available files

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