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

Catalog ID
STL148094
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[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 C26H30N4O8 MW 526.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O8/c1-15-19(16(2)27-21(15)26(34)37-3)23(31)20-22(17-6-4-7-18(14-17)30(35)36)29(25(33)24(20)32)9-5-8-28-10-12-38-13-11-28/h4,6-7,14,22,27,31H,5,8-13H2,1-3H3/b23-20+
InChIKey
XTFYYQYUMMZCFF-BSYVCWPDSA-N
Synonyms
577998-18-6
(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(morpholin4ium4yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(1(3MORPHOLIN4IUM4YLPROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
577998186
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)(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))CCC(NH+)1CCOCC1)(O))C
InChI=1SC26H30N4O8c11519(16(2)2721(15)26(34)373)23(31)2022(1764718(1417)30(35)36)29(25(33)24(20)32)95828101238131128h46714222731H5813H213H3b2320+
METHYL4((4HYDROXY1(3MORPHOLIN4YLPROPYL)2(3NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(3MORPHOLIN4YLPROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755326
ZINC000102925975
ZINC000102925979

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Available files

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