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

Catalog ID
STL150710
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)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 C23H26BrN3O5 MW 504.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrN3O5/c1-12-16(13(2)25-18(12)23(31)32-5)20(28)17-19(14-7-6-8-15(24)11-14)27(10-9-26(3)4)22(30)21(17)29/h6-8,11,19,25,28H,9-10H2,1-5H3/b20-17+
InChIKey
OTJKXSNUPJZOJG-LVZFUZTISA-N
Synonyms
843626-21-1
(E)(2(3bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(3BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
843626211
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)Br)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CC(NH+)(C)C)(O))C
InChI=1SC23H26BrN3O5c11216(13(2)2518(12)23(31)325)20(28)1719(1476815(24)1114)27(10926(3)4)22(30)21(17)29h6811192528H910H215H3b2017+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)2(3BROMOPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
methyl4((E)(2(3bromophenyl)1(2(dimethylamino)ethyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(2(3BROMOPHENYL)1(2DIMETHYLAMINOETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755893
ZINC000102931803
ZINC000102931806

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Available files

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