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

Catalog ID
STL039056
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])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 C25H30N4O7 MW 498.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O7/c1-6-36-25(33)20-14(2)18(15(3)26-20)22(30)19-21(16-8-10-17(11-9-16)29(34)35)28(24(32)23(19)31)13-7-12-27(4)5/h8-11,21,26,30H,6-7,12-13H2,1-5H3/b22-19+
InChIKey
ZSTCNVABCIBVSD-ZBJSNUHESA-N
Synonyms
844649-69-0
(E)(1(3(dimethylammonio)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
844649690
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)(N+)(=O)(O))(O))C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY2(4NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC25H30N4O7c163625(33)2014(2)18(15(3)2620)22(30)1921(1681017(11916)29(34)35)28(24(32)23(19)31)1371227(4)5h811212630H671213H215H3b2219+
MFCD18247759
ZINC000102862509
ZINC000102862512

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Available files

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