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

Catalog ID
STL048618
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CC[NH+](C)C)/[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 C26H31N3O4 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4/c1-16-14-19-15-18(8-11-21(19)33-16)24(30)22-23(17-6-9-20(10-7-17)28(4)5)29(13-12-27(2)3)26(32)25(22)31/h6-11,15-16,23,30H,12-14H2,1-5H3/b24-22+
InChIKey
RZOJPHISEJLLDP-ZNTNEXAZSA-N
Synonyms
845902-76-3
(4E)1(2DIMETHYLAMINOETHYL)5(4DIMETHYLAMINOPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4(dimethylamino)phenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4(dimethylamino)phenyl)1(2(dimethylazaniumyl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4DIMETHYLAMINOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
845902763
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC=C(C=C4)N(C)C)(O)
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CC(NH+)(C)C)(O)
InChI=1SC26H31N3O4c11614191518(81121(19)3316)24(30)2223(176920(10717)28(4)5)29(131227(2)3)26(32)25(22)31h61115162330H1214H215H3b2422+
MFCD18249212
ZINC000102735181
ZINC000102735190

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Available files

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