Vitas-M small molecule compound

(2Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3(2H)-one

Catalog ID
STK992569
SMILES CC1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1c(F)cccc1Cl)/C2=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 C22H21ClFNO3 MW 401.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFNO3/c1-13-5-2-3-10-25(13)12-16-19(26)9-8-14-21(27)20(28-22(14)16)11-15-17(23)6-4-7-18(15)24/h4,6-9,11,13,26H,2-3,5,10,12H2,1H3/b20-11-
InChIKey
OBEOHKSOILYDOM-JAIQZWGSSA-N
Synonyms
929433-29-4
(2Z)2((2chloro6fluorophenyl)methylidene)7((2methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(2chloro6fluorobenzylidene)6hydroxy7((2methylpiperidin1yl)methyl)1benzofuran3(2H)one
(Z)2(2chloro6fluorobenzylidene)6hydroxy7((2methylpiperidin1yl)methyl)benzofuran3(2H)one
929433294
CC1CCCC(NH+)1CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)F)C3=O)(O)
CC1CCCCN1Cc1c(O)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O
InChI=1SC22H21ClFNO3c1135231025(13)121619(26)981421(27)20(2822(14)16)111517(23)64718(15)24h469111326H2351012H21H3b2011

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Available files

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