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

Catalog ID
STK559790
SMILES COC(=O)c1ccc(cc1)C1N(CCC[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 C28H33N3O8 MW 539.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O8/c1-16-20(17(2)29-22(16)28(36)38-4)24(32)21-23(18-6-8-19(9-7-18)27(35)37-3)31(26(34)25(21)33)11-5-10-30-12-14-39-15-13-30/h6-9,23,29,32H,5,10-15H2,1-4H3/b24-21+
InChIKey
MPSYLGVZAKYBHO-DARPEHSRSA-N
Synonyms
577986-91-5
(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(4(methoxycarbonyl)phenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(4METHOXYCARBONYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
577986915
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)C(=O)OC)(O))C)C(=O)OC
COC(=O)c1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC28H33N3O8c11620(17(2)2922(16)28(36)384)24(32)2123(186819(9718)27(35)373)31(26(34)25(21)33)1151030121439151330h69232932H51015H214H3b2421+
METHYL4((4HYDROXY2(4(METHOXYCARBONYL)PHENYL)1(3MORPHOLIN4YLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(2(4METHOXYCARBONYLPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243366
ZINC000102490423
ZINC000102490434

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Available files

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