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

Catalog ID
STK558998
SMILES COc1cccc(c1)C1N(CC[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 C24H29N3O6 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O6/c1-13-17(14(2)25-19(13)24(31)33-6)21(28)18-20(15-8-7-9-16(12-15)32-5)27(11-10-26(3)4)23(30)22(18)29/h7-9,12,20,25,28H,10-11H2,1-6H3/b21-18+
InChIKey
JGFZGUNFQQFTPL-DYTRJAOYSA-N
Synonyms

(E)(1(2(dimethylammonio)ethyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=CC=C3)OC)(O))C)C(=O)OC
COc1cccc(c1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC24H29N3O6c11317(14(2)2519(13)24(31)336)21(28)1820(1587916(1215)325)27(111026(3)4)23(30)22(18)29h7912202528H1011H216H3b2118+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(3METHOXYPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIMETHYLAMINOETHYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243166
ZINC000102483809
ZINC000102483815

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Available files

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