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

Catalog ID
STK566484
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccc(cc1)[N+](=O)[O-])CC

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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 C25H30N4O7 MW 498.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O7/c1-6-27(7-2)12-13-28-21(16-8-10-17(11-9-16)29(34)35)19(23(31)24(28)32)22(30)18-14(3)20(25(33)36-5)26-15(18)4/h8-11,21,26,30H,6-7,12-13H2,1-5H3/b22-19+
InChIKey
ZTFKSNVMIFZHOB-ZBJSNUHESA-N
Synonyms
585560-46-9
(E)(1(2(diethylammonio)ethyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
585560469
CC(NH+)(CC)CCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC=C(C=C3)(N+)(=O)(O)
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1ccc(cc1)(N+)(=O)(O))CC
InChI=1SC25H30N4O7c1627(72)12132821(1681017(11916)29(34)35)19(23(31)24(28)32)22(30)1814(3)20(25(33)365)2615(18)4h811212630H671213H215H3b2219+
METHYL4((1(2(DIETHYLAMINO)ETHYL)4HYDROXY2(4NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIETHYLAMINOETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIETHYLAMINOETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18245037
ZINC000009042437
ZINC000009042442

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Available files

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