Vitas-M small molecule compound
(2Z)-2-(3,4-dichlorobenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK581052
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1)Cl)Cl)/C2=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 C22H22Cl2N2O4 MW 449.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N2O4/c23-17-3-1-14(11-18(17)24)12-20-21(29)15-2-4-19(28)16(22(15)30-20)13-26-7-5-25(6-8-26)9-10-27/h1-4,11-12,27-28H,5-10,13H2/b20-12-InChIKey
KXUFELAJPQOZGE-NDENLUEZSA-NSynonyms
896065-42-2(2Z)2(34dichlorobenzylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C=C4)Cl)Cl)C3=O)O
InChI=1SC22H22Cl2N2O4c23173114(1118(17)24)122021(29)152419(28)16(22(15)3020)13267525(6826)91027h1411122728H51013H2b2012
MFCD06591309
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccc(c(c1)Cl)Cl)C2=O
ZINC000020503142
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