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

Catalog ID
STK561642
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[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 C24H28N4O7 MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O7/c1-6-35-24(32)19-13(2)17(14(3)25-19)21(29)18-20(15-7-9-16(10-8-15)28(33)34)27(12-11-26(4)5)23(31)22(18)30/h7-10,20,25,29H,6,11-12H2,1-5H3/b21-18+
InChIKey
JGOLXXNHDBVHEL-DYTRJAOYSA-N
Synonyms
845805-84-7
(E)(1(2(dimethylammonio)ethyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
845805847
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)(N+)(=O)(O))(O))C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(4NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(2DIMETHYLAMINOETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC24H28N4O7c163524(32)1913(2)17(14(3)2519)21(29)1820(157916(10815)28(33)34)27(121126(4)5)23(31)22(18)30h710202529H61112H215H3b2118+
MFCD18243849
ZINC000102505802
ZINC000102505810

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Available files

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