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

Catalog ID
STK560416
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)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 C24H28ClN3O5 MW 473.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28ClN3O5/c1-6-33-24(32)19-13(2)17(14(3)26-19)21(29)18-20(15-8-7-9-16(25)12-15)28(11-10-27(4)5)23(31)22(18)30/h7-9,12,20,26,29H,6,10-11H2,1-5H3/b21-18+
InChIKey
UCBPOQGUZXANSN-DYTRJAOYSA-N
Synonyms
847036-86-6
(E)(2(3chlorophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(3CHLOROPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847036866
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)CC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=CC=C3)Cl)(O))C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)2(3CHLOROPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((2(3CHLOROPHENYL)1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((E)(2(3CHLOROPHENYL)1(2DIMETHYLAMINOETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC24H28ClN3O5c163324(32)1913(2)17(14(3)2619)21(29)1820(1587916(25)1215)28(111027(4)5)23(31)22(18)30h7912202629H61011H215H3b2118+
MFCD18243532
ZINC000102495813
ZINC000102495823

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Available files

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