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

Catalog ID
STL037445
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CC[NH+]1CCOCC1)/[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 C26H31N3O6 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O6/c1-15-5-7-18(8-6-15)22-20(23(30)19-16(2)21(26(33)34-4)27-17(19)3)24(31)25(32)29(22)10-9-28-11-13-35-14-12-28/h5-8,22,27,30H,9-14H2,1-4H3/b23-20+
InChIKey
YVMXKOLRQGLCHE-BSYVCWPDSA-N
Synonyms
848738-53-4
(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(4methylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(4METHYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
848738534
CC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CC(NH+)1CCOCC1)(O))C
InChI=1SC26H31N3O6c1155718(8615)2220(23(30)1916(2)21(26(33)344)2717(19)3)24(31)25(32)29(22)10928111335141228h58222730H914H214H3b2320+
METHYL4((4HYDROXY2(4METHYLPHENYL)1(2MORPHOLIN4YLETHYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(2(4METHYLPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)HYDROXY(2(4METHYLPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247433
ZINC000008838015
ZINC000008838016

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Available files

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