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(E)-{1-[3-(dimethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STL150547
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[NH+](C)C)/[O-])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 C26H33N3O5 MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O5/c1-7-34-26(33)21-16(3)19(17(4)27-21)23(30)20-22(18-11-9-15(2)10-12-18)29(25(32)24(20)31)14-8-13-28(5)6/h9-12,22,27,30H,7-8,13-14H2,1-6H3/b23-20+
InChIKey
MPDWBZMVOUXYDQ-BSYVCWPDSA-N
Synonyms
844645-43-8
(E)(1(3(dimethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
844645438
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C)O)C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY2(4METHYLPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY2(4METHYLPHENYL)5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H33N3O5c173426(33)2116(3)19(17(4)2721)23(30)2022(1811915(2)101218)29(25(32)24(20)31)1481328(5)6h912222730H781314H216H3b2320+
MFCD20755854
ZINC000102931770
ZINC000102931772

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Available files

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