Vitas-M small molecule compound
(2Z)-2-(2-chloro-6-fluorobenzylidene)-7-[(dimethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851002
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1c(F)cccc1Cl)/C2=O)C
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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 C18H15ClFNO3 MW 347.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClFNO3/c1-21(2)9-12-15(22)7-6-10-17(23)16(24-18(10)12)8-11-13(19)4-3-5-14(11)20/h3-8,22H,9H2,1-2H3/b16-8-InChIKey
NCMMASTUHGZBRF-PXNMLYILSA-NSynonyms
900273-26-9(2Z)2((2chloro6fluorophenyl)methylidene)7((dimethylazaniumyl)methyl)3oxo1benzofuran6olate
(2Z)2((2CHLORO6FLUOROPHENYL)METHYLIDENE)7(DIMETHYLAMINOMETHYL)6HYDROXY1BENZOFURAN3ONE
(2Z)2(2chloro6fluorobenzylidene)7((dimethylammonio)methyl)3oxo23dihydro1benzofuran6olate
7((DIMETHYLAMINO)METHYL)2((2CHLORO6FLUOROPHENYL)METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
900273269
C(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=C(C=CC=C3Cl)F)C2=O)(O)
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O)C
InChI=1SC18H15ClFNO3c121(2)91215(22)761017(23)16(2418(10)12)81113(19)43514(11)20h3822H9H212H3b168
MFCD06611984
ZINC000020533454
ZINC20533454
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