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

Catalog ID
STL047128
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)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 C28H37N3O5 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O5/c1-9-36-27(35)22-16(2)20(17(3)29-22)24(32)21-23(18-10-12-19(13-11-18)28(4,5)6)31(15-14-30(7)8)26(34)25(21)33/h10-13,23,29,32H,9,14-15H2,1-8H3/b24-21+
InChIKey
YYCUMNCOMXOPHQ-DARPEHSRSA-N
Synonyms
877809-78-4
(E)(2(4tertbutylphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
877809784
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(C)(C)C)O)C
ETHYL4((2(4TERTBUTYLPHENYL)1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ethyl4((E)(2(4tertbutylphenyl)1(2(dimethylamino)ethyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((E)(2(4TERTBUTYLPHENYL)1(2DIMETHYLAMINOETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC28H37N3O5c193627(35)2216(2)20(17(3)2922)24(32)2123(18101219(131118)28(45)6)31(151430(7)8)26(34)25(21)33h1013232932H91415H218H3b2421+
MFCD18248999
ZINC000102882248
ZINC000102882251

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Available files

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