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

Catalog ID
STL037590
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCC[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 C25H31N3O7 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O7/c1-14-6-7-17(35-14)21-19(22(29)18-15(2)20(25(32)33-4)26-16(18)3)23(30)24(31)28(21)9-5-8-27-10-12-34-13-11-27/h6-7,21,26,29H,5,8-13H2,1-4H3/b22-19+
InChIKey
BMCOOMNDETWFBF-ZBJSNUHESA-N
Synonyms
578753-14-7
(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(5methylfuran2yl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(5METHYLFURAN2YL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
578753147
CC1=CC=C(O1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)O)C(=O)C(=O)N2CCCN4CCOCC4
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCC(NH+)1CCOCC1)(O))C
InChI=1SC25H31N3O7c1146717(3514)2119(22(29)1815(2)20(25(32)334)2616(18)3)23(30)24(31)28(21)95827101234131127h67212629H5813H214H3b2219+
METHYL4((4HYDROXY2(5METHYL(2FURYL))1(3MORPHOLIN4YLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(2(5METHYLFURAN2YL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)HYDROXY(2(5METHYLFURAN2YL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247453
ZINC000009065168
ZINC000009065169

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Available files

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