Vitas-M small molecule compound
(2Z)-2-(4-chlorobenzylidene)-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK615476
SMILES Clc1ccc(cc1)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+]1CCOCC1)[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 C21H20ClNO4 MW 385.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO4/c1-13-10-17(24)16(12-23-6-8-26-9-7-23)21-19(13)20(25)18(27-21)11-14-2-4-15(22)5-3-14/h2-5,10-11,24H,6-9,12H2,1H3/b18-11-InChIKey
SDKKTGWYFGECRN-WQRHYEAKSA-NSynonyms
903590-11-4(2Z)2((4CHLOROPHENYL)METHYLIDENE)6HYDROXY4METHYL7(MORPHOLIN4YLMETHYL)1BENZOFURAN3ONE
(2Z)2(4chlorobenzylidene)4methyl7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
2((4CHLOROPHENYL)METHYLENE)6HYDROXY4METHYL7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
Clc1ccc(cc1)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCOCC1)(O)
MFCD08289551
ZINC000020589091
ZINC20589091
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