Vitas-M small molecule compound
(2Z)-2-(3,4-dichlorobenzylidene)-7-[(dipropylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK617506
SMILES CCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1)Cl)Cl)/C2=O)CCC
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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 C22H23Cl2NO3 MW 420.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2NO3/c1-3-9-25(10-4-2)13-16-19(26)8-6-15-21(27)20(28-22(15)16)12-14-5-7-17(23)18(24)11-14/h5-8,11-12,26H,3-4,9-10,13H2,1-2H3/b20-12-InChIKey
KXUNTJKUMDONHQ-NDENLUEZSA-NSynonyms
929963-96-2929963962
CCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(c(c1)Cl)Cl)C2=O)CCC
MFCD09794302
ZINC000020650966
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