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

Catalog ID
STL045194
SMILES COc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]

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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 C25H31N3O6 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O6/c1-14-18(15(2)26-20(14)25(32)34-6)22(29)19-21(16-8-10-17(33-5)11-9-16)28(24(31)23(19)30)13-7-12-27(3)4/h8-11,21,26,29H,7,12-13H2,1-6H3/b22-19+
InChIKey
ZAKPTFAAIZAVSN-ZBJSNUHESA-N
Synonyms
879921-34-3
(E)(1(3(dimethylammonio)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
879921343
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)OC)(O))C)C(=O)OC
COc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC25H31N3O6c11418(15(2)2620(14)25(32)346)22(29)1921(1681017(335)11916)28(24(31)23(19)30)1371227(3)4h811212629H71213H216H3b2219+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY2(4METHOXYPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248586
ZINC000102876803
ZINC000102876806

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Available files

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