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

Catalog ID
STK565430
SMILES CCOC(=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 C23H29N3O6 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O6/c1-6-31-23(30)18-13(2)16(14(3)24-18)20(27)17-19(15-9-7-12-32-15)26(22(29)21(17)28)11-8-10-25(4)5/h7,9,12,19,24,27H,6,8,10-11H2,1-5H3/b20-17+
InChIKey
QGQBKGRIEVFENZ-LVZFUZTISA-N
Synonyms
845668-46-4
(E)(1(3(dimethylammonio)propyl)2(furan2yl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
845668464
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccco1)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=CO3)(O))C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)2(2FURYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC23H29N3O6c163123(30)1813(2)16(14(3)2418)20(27)1719(1597123215)26(22(29)21(17)28)1181025(4)5h7912192427H681011H215H3b2017+
MFCD18244785
ZINC000102534847
ZINC000102534854

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Available files

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