Vitas-M small molecule compound

(2Z)-7-{[bis(2-methylpropyl)amino]methyl}-2-(2,4-dichlorobenzylidene)-6-hydroxy-1-benzofuran-3(2H)-one

Catalog ID
STK992606
SMILES CC(CN(Cc1c(O)ccc2c1O/C(=C\c1ccc(cc1Cl)Cl)/C2=O)CC(C)C)C

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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 C24H27Cl2NO3 MW 448.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27Cl2NO3/c1-14(2)11-27(12-15(3)4)13-19-21(28)8-7-18-23(29)22(30-24(18)19)9-16-5-6-17(25)10-20(16)26/h5-10,14-15,28H,11-13H2,1-4H3/b22-9-
InChIKey
JQULBHOFWPHMQW-AFPJDJCSSA-N
Synonyms
929433-49-8
(2Z)7((bis(2methylpropyl)amino)methyl)2(24dichlorobenzylidene)6hydroxy1benzofuran3(2H)one
(2Z)7((bis(2methylpropyl)azaniumyl)methyl)2((24dichlorophenyl)methylidene)3oxo1benzofuran6olate
(Z)2(24dichlorobenzylidene)7((diisobutylamino)methyl)6hydroxybenzofuran3(2H)one
929433498
CC(C)C(NH+)(CC1=C(C=CC2=C1OC(=CC3=C(C=C(C=C3)Cl)Cl)C2=O)(O))CC(C)C
CC(CN(Cc1c(O)ccc2c1OC(=Cc1ccc(cc1Cl)Cl)C2=O)CC(C)C)C
InChI=1SC24H27Cl2NO3c114(2)1127(1215(3)4)131921(28)871823(29)22(3024(18)19)9165617(25)1020(16)26h510141528H1113H214H3b229

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Available files

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