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(E)-[2-methyl-4-(2-methylpropoxy)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK564786
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])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 C29H35N3O7 MW 537.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O7/c1-19(2)18-39-23-8-9-24(20(3)16-23)27(33)25-26(21-6-4-7-22(17-21)32(36)37)31(29(35)28(25)34)11-5-10-30-12-14-38-15-13-30/h4,6-9,16-17,19,26,33H,5,10-15,18H2,1-3H3/b27-25+
InChIKey
DSVBOLCXQFTSDD-IMVLJIQESA-N
Synonyms
499209-48-2
(4E)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(2methyl4(2methylpropoxy)phenyl)(1(3(morpholin4ium4yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(2METHYL4(2METHYLPROPOXY)PHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
499209482
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)(N+)(=O)(O))(O)
InChI=1SC29H35N3O7c119(2)1839238924(20(3)1623)27(33)2526(2164722(1721)32(36)37)31(29(35)28(25)34)1151030121438151330h4691617192633H5101518H213H3b2725+
MFCD18244615
ZINC000102169161
ZINC000102169165

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Available files

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