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

Catalog ID
STK566312
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[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 C23H26N4O7 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O7/c1-12-16(13(2)24-18(12)23(31)34-5)20(28)17-19(14-7-6-8-15(11-14)27(32)33)26(10-9-25(3)4)22(30)21(17)29/h6-8,11,19,24,28H,9-10H2,1-5H3/b20-17+
InChIKey
ZDSAHPPZUNMTES-LVZFUZTISA-N
Synonyms
585555-22-2
(E)(1(2(dimethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
585555222
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CC(NH+)(C)C)(O))C
InChI=1SC23H26N4O7c11216(13(2)2418(12)23(31)345)20(28)1719(1476815(1114)27(32)33)26(10925(3)4)22(30)21(17)29h6811192428H910H215H3b2017+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(3NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIMETHYLAMINOETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244995
ZINC000102541055
ZINC000102541062

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Available files

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