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

Catalog ID
STL043428
SMILES COc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]

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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 C26H31N3O7 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O7/c1-15-19(16(2)27-21(15)26(33)35-4)23(30)20-22(17-6-5-7-18(14-17)34-3)29(25(32)24(20)31)9-8-28-10-12-36-13-11-28/h5-7,14,22,27,30H,8-13H2,1-4H3/b23-20+
InChIKey
FYPGGNXBANVSNM-BSYVCWPDSA-N
Synonyms
578004-33-8
(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(3methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(3METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
578004338
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=CC=C4)OC)(O))C)C(=O)OC
COc1cccc(c1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC26H31N3O7c11519(16(2)2721(15)26(33)354)23(30)2022(1765718(1417)343)29(25(32)24(20)31)9828101236131128h5714222730H813H214H3b2320+
METHYL4((4HYDROXY2(3METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(2(3METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)HYDROXY(2(3METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248212
ZINC000102872157
ZINC000102872159

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Available files

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