Vitas-M small molecule compound
(2Z)-7-[(diethylammonio)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849683
SMILES CC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/C2=O)CC
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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 C19H21NO3S MW 343.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO3S/c1-4-20(5-2)11-14-15(21)7-6-13-18(22)16(23-19(13)14)10-17-12(3)8-9-24-17/h6-10,21H,4-5,11H2,1-3H3/b16-10-InChIKey
ONWSLHNYRNWKRD-YBEGLDIGSA-NSynonyms
896835-71-5(2Z)7((diethylammonio)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((diethylazaniumyl)methyl)2((3methylthiophen2yl)methylidene)3oxo1benzofuran6olate
(2Z)7(DIETHYLAMINOMETHYL)6HYDROXY2((3METHYLTHIOPHEN2YL)METHYLIDENE)1BENZOFURAN3ONE
7((DIETHYLAMINO)METHYL)6HYDROXY2((3METHYL(2THIENYL))METHYLENE)BENZO(B)FURAN3ONE
896835715
CC(NH+)(CC)CC1=C(C=CC2=C1OC(=CC3=C(C=CS3)C)C2=O)(O)
CC(NH+)(Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O)CC
InChI=1SC19H21NO3Sc1420(52)111415(21)761318(22)16(2319(13)14)101712(3)892417h61021H4511H213H3b1610
MFCD06600116
ZINC000020518273
ZINC20518273
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