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

Catalog ID
STL038067
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)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 C22H27N3O6 MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O6/c1-12-15(13(2)23-17(12)22(29)30-5)19(26)16-18(14-8-6-11-31-14)25(21(28)20(16)27)10-7-9-24(3)4/h6,8,11,18,23,26H,7,9-10H2,1-5H3/b19-16+
InChIKey
GKYVWSTVHQVPLG-KNTRCKAVSA-N
Synonyms
578745-20-7
(E)(1(3(dimethylammonio)propyl)2(furan2yl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
578745207
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=CO3)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccco1)CCC(NH+)(C)C)(O))C
InChI=1SC22H27N3O6c11215(13(2)2317(12)22(29)305)19(26)1618(1486113114)25(21(28)20(16)27)107924(3)4h6811182326H7910H215H3b1916+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)2(2FURYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247549
ZINC000102859843
ZINC000102859847

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Available files

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