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(E)-(3-chloro-4-methoxyphenyl){1-[2-(dimethylammonio)ethyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STL038862
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CC[NH+](C)C)/[O-]

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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 C21H23ClN2O5 MW 418.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O5/c1-12-5-7-16(29-12)18-17(20(26)21(27)24(18)10-9-23(2)3)19(25)13-6-8-15(28-4)14(22)11-13/h5-8,11,18,25H,9-10H2,1-4H3/b19-17+
InChIKey
NYHDITIENBCKDG-HTXNQAPBSA-N
Synonyms
575466-67-0
(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5(5METHYLFURAN2YL)PYRROLIDINE23DIONE
(4Z)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5(5METHYLFURAN2YL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(2(dimethylammonio)ethyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY5(5METHYL(2FURYL))3PYRROLIN2ONE
575466670
CC1=CC=C(O1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)(O))C(=O)C(=O)N2CC(NH+)(C)C
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CC(NH+)(C)C)(O)
InChI=1SC21H23ClN2O5c1125716(2912)1817(20(26)21(27)24(18)10923(2)3)19(25)136815(284)14(22)1113h58111825H910H214H3b1917+
MFCD18247715
ZINC000005884931
ZINC000005885000

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Available files

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