Vitas-M small molecule compound
(2Z)-2-(2-chlorobenzylidene)-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK613884
SMILES Cc1cc([O-])c(c2c1C(=O)/C(=C/c1ccccc1Cl)/O2)C[NH+]1CCOCC1
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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 C21H20ClNO4 MW 385.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO4/c1-13-10-17(24)15(12-23-6-8-26-9-7-23)21-19(13)20(25)18(27-21)11-14-4-2-3-5-16(14)22/h2-5,10-11,24H,6-9,12H2,1H3/b18-11-InChIKey
VDDHEKOWVUBUIU-WQRHYEAKSA-NSynonyms
903849-95-6(2Z)2((2CHLOROPHENYL)METHYLIDENE)6HYDROXY4METHYL7(MORPHOLIN4YLMETHYL)1BENZOFURAN3ONE
(2Z)2(2chlorobenzylidene)4methyl7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
2((2CHLOROPHENYL)METHYLENE)6HYDROXY4METHYL7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
Cc1cc((O))c(c2c1C(=O)C(=Cc1ccccc1Cl)O2)C(NH+)1CCOCC1
MFCD08293081
ZINC000020591567
ZINC20591567
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