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

Catalog ID
STK559453
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1cccc(c1)F)CC

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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 C25H30FN3O5 MW 471.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30FN3O5/c1-6-28(7-2)11-12-29-21(16-9-8-10-17(26)13-16)19(23(31)24(29)32)22(30)18-14(3)20(25(33)34-5)27-15(18)4/h8-10,13,21,27,30H,6-7,11-12H2,1-5H3/b22-19+
InChIKey
IIDXKYBGINNVFX-ZBJSNUHESA-N
Synonyms
847039-45-6
(E)(1(2(diethylammonio)ethyl)2(3fluorophenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847039456
CC(NH+)(CC)CCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC(=CC=C3)F
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1cccc(c1)F)CC
InChI=1SC25H30FN3O5c1628(72)11122921(16981017(26)1316)19(23(31)24(29)32)22(30)1814(3)20(25(33)345)2715(18)4h81013212730H671112H215H3b2219+
METHYL4((1(2(DIETHYLAMINO)ETHYL)2(3FLUOROPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((1(2(DIETHYLAMINO)ETHYL)2(3FLUOROPHENYL)4HYDROXY5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIETHYLAMINOETHYL)2(3FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243273
ZINC000102487257
ZINC000102487266

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Available files

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