Vitas-M small molecule compound

(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK617787
SMILES Brc1ccc2c(c1)cc(o2)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+]1CCCCC1)[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 C24H22BrNO4 MW 468.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrNO4/c1-14-9-19(27)18(13-26-7-3-2-4-8-26)24-22(14)23(28)21(30-24)12-17-11-15-10-16(25)5-6-20(15)29-17/h5-6,9-12,27H,2-4,7-8,13H2,1H3/b21-12-
InChIKey
DIGOJYZLPPANQL-MTJSOVHGSA-N
Synonyms
929807-28-3
(2Z)2((5bromo1benzofuran2yl)methylidene)4methyl3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)2((5bromo1benzofuran2yl)methylidene)6hydroxy4methyl7(piperidin1ylmethyl)1benzofuran3one
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)6HYDROXY4METHYL7(PIPERIDYLMETHYL)BENZO(B)FURAN3ONE
Brc1ccc2c(c1)cc(o2)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCCC1)(O)
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=C(O3)C=CC(=C4)Br)O2)CN5CCCCC5)O
InChI=1SC24H22BrNO4c114919(27)18(13267324826)2422(14)23(28)21(3024)121711151016(25)5620(15)2917h5691227H247813H21H3b2112
MFCD09790114
ZINC000020647305
ZINC20647305

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Available files

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