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

Catalog ID
STK563550
SMILES COC(=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 C24H28N4O7 MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O7/c1-13-17(14(2)25-19(13)24(32)35-5)21(29)18-20(15-8-6-9-16(12-15)28(33)34)27(23(31)22(18)30)11-7-10-26(3)4/h6,8-9,12,20,25,29H,7,10-11H2,1-5H3/b21-18+
InChIKey
HLRPYPDUDDLGMZ-DYTRJAOYSA-N
Synonyms
577695-97-7
(E)(1(3(dimethylammonio)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
577695977
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=CC=C3)(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+)(C)C)(O))C
InChI=1SC24H28N4O7c11317(14(2)2519(13)24(32)355)21(29)1820(1586916(1215)28(33)34)27(23(31)22(18)30)1171026(3)4h68912202529H71011H215H3b2118+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY2(3NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244328
ZINC000102521394
ZINC000102521403

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Available files

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