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

Catalog ID
STL147394
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[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(16-9-7-10-17(13-16)29(34)35)28(24(32)23(19)31)12-8-11-27(4)5/h7,9-10,13,21,26,30H,6,8,11-12H2,1-5H3/b22-19+
InChIKey
OFHBJDSPZVUJIR-ZBJSNUHESA-N
Synonyms
847185-38-0
(E)(1(3(dimethylammonio)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847185380
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(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(=CC=C3)(N+)(=O)(O))(O))C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY2(3NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC25H30N4O7c163625(33)2014(2)18(15(3)2620)22(30)1921(16971017(1316)29(34)35)28(24(32)23(19)31)1281127(4)5h791013212630H681112H215H3b2219+
MFCD20755190
ZINC000102924798
ZINC000102924802

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Available files

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