Vitas-M small molecule compound
(2Z)-2-(2,4-dichlorobenzylidene)-7-[(dimethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856857
SMILES Clc1ccc(c(c1)Cl)/C=C/1\Oc2c(C1=O)ccc(c2C[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 C18H15Cl2NO3 MW 364.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15Cl2NO3/c1-21(2)9-13-15(22)6-5-12-17(23)16(24-18(12)13)7-10-3-4-11(19)8-14(10)20/h3-8,22H,9H2,1-2H3/b16-7-InChIKey
CSOVDQJMPXMQHJ-APSNUPSMSA-NSynonyms
893380-95-5(2Z)2((24dichlorophenyl)methylidene)7((dimethylazaniumyl)methyl)3oxo1benzofuran6olate
(2Z)2(24dichlorobenzylidene)7((dimethylammonio)methyl)3oxo23dihydro1benzofuran6olate
893380955
C(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=C(C=C(C=C3)Cl)Cl)C2=O)(O)
Clc1ccc(c(c1)Cl)C=C1Oc2c(C1=O)ccc(c2C(NH+)(C)C)(O)
InChI=1SC18H15Cl2NO3c121(2)91315(22)651217(23)16(2418(12)13)7103411(19)814(10)20h3822H9H212H3b167
MFCD06692024
ZINC000020646540
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