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

Catalog ID
STL149318
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C25H30N4O6 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-5-7-26-8-6-17)29(24(32)23(19)31)10-4-9-28-11-13-35-14-12-28/h5-8,21,27,30H,4,9-14H2,1-3H3/b22-19+
InChIKey
QTXUPGAUWICEAY-ZBJSNUHESA-N
Synonyms
577988-31-9
(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
577988319
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)1CCOCC1)(O))C
InChI=1SC25H30N4O6c11518(16(2)2720(15)25(33)343)22(30)1921(1757268617)29(24(32)23(19)31)104928111335141228h58212730H4914H213H3b2219+
METHYL4((4HYDROXY1(3(4MORPHOLINYL)PROPYL)5OXO2(4PYRIDINYL)25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO2(4PYRIDYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(3MORPHOLIN4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)HYDROXY(1(3MORPHOLIN4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755578
ZINC000102928324
ZINC000102928326

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Available files

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