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

Catalog ID
STK562148
SMILES COC(=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 C27H35N3O5 MW 481.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O5/c1-15-19(16(2)28-21(15)26(34)35-8)23(31)20-22(17-9-11-18(12-10-17)27(3,4)5)30(14-13-29(6)7)25(33)24(20)32/h9-12,22,28,31H,13-14H2,1-8H3/b23-20+
InChIKey
KTQSXLOTQULFHQ-BSYVCWPDSA-N
Synonyms
847176-10-7
(E)(2(4tertbutylphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847176107
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(C)(C)C)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC(NH+)(C)C)(O))C
InChI=1SC27H35N3O5c11519(16(2)2821(15)26(34)358)23(31)2022(1791118(121017)27(34)5)30(141329(6)7)25(33)24(20)32h912222831H1314H218H3b2320+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)2(4(TERTBUTYL)PHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
methyl4((E)(2(4tertbutylphenyl)1(2(dimethylamino)ethyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(2(4TERTBUTYLPHENYL)1(2DIMETHYLAMINOETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243974
ZINC000102509999
ZINC000102510010

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Available files

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