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(E)-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Catalog ID
STK567600
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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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 C27H23BrN2O6 MW 551.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O6/c1-14-8-17-9-16(5-6-20(17)36-14)24(31)22-23(18-10-19(28)25(32)21(11-18)35-2)30(27(34)26(22)33)13-15-4-3-7-29-12-15/h3-7,9-12,14,23,31-32H,8,13H2,1-2H3/b24-22+
InChIKey
RHQIXUSJAMVBKZ-ZNTNEXAZSA-N
Synonyms
1203060-90-5
(4E)5(3BROMO4HYDROXY5METHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3BROMO4HYDROXY5METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(3bromo4hydroxy5methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
1203060905
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=C(C(=C5)Br)O)OC)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H23BrN2O6c114817916(5620(17)3614)24(31)2223(181019(28)25(32)21(1118)352)30(27(34)26(22)33)1315437291215h3791214233132H813H212H3b2422+
MFCD18245165
ZINC000102548335
ZINC000102651630

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Available files

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