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

Catalog ID
STL047258
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[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 C25H28N4O8 MW 512.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O8/c1-14-18(15(2)26-20(14)25(33)36-3)22(30)19-21(16-5-4-6-17(13-16)29(34)35)28(24(32)23(19)31)8-7-27-9-11-37-12-10-27/h4-6,13,21,26,30H,7-12H2,1-3H3/b22-19+
InChIKey
YHVLKSOMQKGIMN-ZBJSNUHESA-N
Synonyms
638134-98-2
(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(2(morpholin4ium4yl)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(1(2MORPHOLIN4IUM4YLETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
638134982
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=CC=C4)(N+)(=O)(O))(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CC(NH+)1CCOCC1)(O))C
InChI=1SC25H28N4O8c11418(15(2)2620(14)25(33)363)22(30)1921(1654617(1316)29(34)35)28(24(32)23(19)31)872791137121027h4613212630H712H213H3b2219+
METHYL4((4HYDROXY1(2MORPHOLIN4YLETHYL)2(3NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(2MORPHOLIN4YLETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18249031
ZINC000102883265
ZINC000102883267

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Available files

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