Vitas-M small molecule compound

(2Z)-2-(2,4-dichlorobenzylidene)-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK621764
SMILES Clc1ccc(c(c1)Cl)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1C)[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 C22H21Cl2NO3 MW 418.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2NO3/c1-13-4-2-3-9-25(13)12-17-19(26)8-7-16-21(27)20(28-22(16)17)10-14-5-6-15(23)11-18(14)24/h5-8,10-11,13,26H,2-4,9,12H2,1H3/b20-10-
InChIKey
VTTCOHYECGZDRL-JMIUGGIZSA-N
Synonyms
929811-07-4
(2Z)2((24dichlorophenyl)methylidene)6hydroxy7((2methylpiperidin1yl)methyl)1benzofuran3one
(2Z)2(24dichlorobenzylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
929811074
CC1CCCCN1CC2=C(C=CC3=C2OC(=CC4=C(C=C(C=C4)Cl)Cl)C3=O)O
Clc1ccc(c(c1)Cl)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCC1C)(O)
InChI=1SC22H21Cl2NO3c113423925(13)121719(26)871621(27)20(2822(16)17)10145615(23)1118(14)24h5810111326H24912H21H3b2010
MFCD06692034
ZINC000020647839
ZINC000020647842

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Available files

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