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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-phenylpyrrolidin-3-ylidene}methanolate

Catalog ID
STL044301
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)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 C26H31N3O6 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O6/c1-16-19(17(2)27-21(16)26(33)34-3)23(30)20-22(18-8-5-4-6-9-18)29(25(32)24(20)31)11-7-10-28-12-14-35-15-13-28/h4-6,8-9,22,27,30H,7,10-15H2,1-3H3/b23-20+
InChIKey
SPUGKTIHOVMTEC-BSYVCWPDSA-N
Synonyms
638135-07-6
(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(morpholin4ium4yl)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
638135076
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)1CCOCC1)(O))C
InChI=1SC26H31N3O6c11619(17(2)2721(16)26(33)343)23(30)2022(188546918)29(25(32)24(20)31)1171028121435151328h4689222730H71015H213H3b2320+
METHYL4((4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO2PHENYL(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(3MORPHOLIN4YLPROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)HYDROXY(1(3MORPHOLIN4YLPROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248393
ZINC000102876015
ZINC000102876020

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Available files

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