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

Catalog ID
STL043446
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccc(cc1)Br)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 C25H30BrN3O5 MW 532.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30BrN3O5/c1-6-28(7-2)12-13-29-21(16-8-10-17(26)11-9-16)19(23(31)24(29)32)22(30)18-14(3)20(25(33)34-5)27-15(18)4/h8-11,21,27,30H,6-7,12-13H2,1-5H3/b22-19+
InChIKey
AZCIQTREFCSERG-ZBJSNUHESA-N
Synonyms
843635-55-2
(E)(2(4bromophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4BROMOPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
843635552
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1ccc(cc1)Br)CC
CCN(CC)CCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)O)C(=O)C1=O)C3=CC=C(C=C3)Br
InChI=1SC25H30BrN3O5c1628(72)12132921(1681017(26)11916)19(23(31)24(29)32)22(30)1814(3)20(25(33)345)2715(18)4h811212730H671213H215H3b2219+
METHYL4((1(2(DIETHYLAMINO)ETHYL)2(4BROMOPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
methyl4((E)(2(4bromophenyl)1(2(diethylamino)ethyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(2(4BROMOPHENYL)1(2DIETHYLAMINOETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248216
ZINC000102872920
ZINC000102872924

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Available files

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