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(E)-{2-[4-(dimethylamino)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Catalog ID
STL044416
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CC[NH+]1CCOCC1)/[O-]

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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 C28H33N3O5 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5/c1-18-16-21-17-20(6-9-23(21)36-18)26(32)24-25(19-4-7-22(8-5-19)29(2)3)31(28(34)27(24)33)11-10-30-12-14-35-15-13-30/h4-9,17-18,25,32H,10-16H2,1-3H3/b26-24+
InChIKey
XCTWLMIVWVRXQS-SHHOIMCASA-N
Synonyms
848745-90-4
(4E)5(4DIMETHYLAMINOPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4(dimethylamino)phenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4(dimethylamino)phenyl)1(2morpholin4ium4ylethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4DIMETHYLAMINOPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
5(4(DIMETHYLAMINO)PHENYL)3HYDROXY4((2METHYL23DIHYDRO1BENZOFURAN5YL)CARBONYL)1(2(4MORPHOLINYL)ETHYL)15DIHYDRO2HPYRROL2ONE
848745904
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC=C(C=C5)N(C)C)(O)
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CC(NH+)1CCOCC1)(O)
InChI=1SC28H33N3O5c11816211720(6923(21)3618)26(32)2425(194722(8519)29(2)3)31(28(34)27(24)33)111030121435151330h4917182532H1016H213H3b2624+
MFCD18248412
ZINC000102771158
ZINC000102771165

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Available files

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