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

Catalog ID
STK563264
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)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 C22H27N3O6 MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O6/c1-11-7-8-14(31-11)18-16(20(27)21(28)25(18)10-9-24(4)5)19(26)15-12(2)17(22(29)30-6)23-13(15)3/h7-8,18,23,26H,9-10H2,1-6H3/b19-16+
InChIKey
WHSNCFKNVQXCTR-KNTRCKAVSA-N
Synonyms
847368-60-9
(E)(1(2(dimethylammonio)ethyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847368609
CC1=CC=C(O1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)(O))C(=O)C(=O)N2CC(NH+)(C)C
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CC(NH+)(C)C)(O))C
InChI=1SC22H27N3O6c1117814(3111)1816(20(27)21(28)25(18)10924(4)5)19(26)1512(2)17(22(29)306)2313(15)3h78182326H910H216H3b1916+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(5METHYL(2FURYL))5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIMETHYLAMINOETHYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244253
ZINC000102519113
ZINC000102519121

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Available files

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