Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849660
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1c(F)cccc1Cl)/C2=O)CCOC
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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 C22H23ClFNO5 MW 435.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClFNO5/c1-28-10-8-25(9-11-29-2)13-16-19(26)7-6-14-21(27)20(30-22(14)16)12-15-17(23)4-3-5-18(15)24/h3-7,12,26H,8-11,13H2,1-2H3/b20-12-InChIKey
KTNOAPDBHFMVBZ-NDENLUEZSA-NSynonyms
899399-05-4(2Z)7((bis(2methoxyethyl)ammonio)methyl)2(2chloro6fluorobenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((bis(2methoxyethyl)azaniumyl)methyl)2((2chloro6fluorophenyl)methylidene)3oxo1benzofuran6olate
899399054
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O)CCOC
COCC(NH+)(CCOC)CC1=C(C=CC2=C1OC(=CC3=C(C=CC=C3Cl)F)C2=O)(O)
InChI=1SC22H23ClFNO5c12810825(911292)131619(26)761421(27)20(3022(14)16)121517(23)43518(15)24h371226H81113H212H3b2012
MFCD06608501
ZINC000020533288
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