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

Catalog ID
STL045748
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)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 C23H26FN3O5 MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26FN3O5/c1-12-16(13(2)25-18(12)23(31)32-5)20(28)17-19(14-8-6-7-9-15(14)24)27(11-10-26(3)4)22(30)21(17)29/h6-9,19,25,28H,10-11H2,1-5H3/b20-17+
InChIKey
RMWFFUJFTTUDLS-LVZFUZTISA-N
Synonyms
845652-97-3
(E)(1(2(dimethylammonio)ethyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
845652973
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3F)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CC(NH+)(C)C)(O))C
InChI=1SC23H26FN3O5c11216(13(2)2518(12)23(31)325)20(28)1719(14867915(14)24)27(111026(3)4)22(30)21(17)29h69192528H1011H215H3b2017+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)2(2FLUOROPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
methyl4((E)(1(2(dimethylamino)ethyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(1(2DIMETHYLAMINOETHYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248702
ZINC000102877880
ZINC000102877882

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Available files

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