Vitas-M small molecule compound

2-butyl-3-[(4-fluorophenyl)sulfanyl]-2,3-dihydro-1H-isoindol-1-one

Catalog ID
STK086614
SMILES CCCCN1C(Sc2ccc(cc2)F)c2c(C1=O)cccc2

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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 C18H18FNOS MW 315.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FNOS/c1-2-3-12-20-17(21)15-6-4-5-7-16(15)18(20)22-14-10-8-13(19)9-11-14/h4-11,18H,2-3,12H2,1H3
InChIKey
APBUPMPDUVDNIX-UHFFFAOYSA-N
Synonyms

2BUTYL3((4FLUOROPHENYL)SULFANYL)23DIHYDRO1HISOINDOL1ONE
2BUTYL3(4FLUOROPHENYL)SULFANYL3HISOINDOL1ONE
CCCCN1C(C2=CC=CC=C2C1=O)SC3=CC=C(C=C3)F
CCCCN1C(Sc2ccc(cc2)F)c2c(C1=O)cccc2
InChI=1SC18H18FNOSc123122017(21)15645716(15)18(20)221410813(19)91114h41118H2312H21H3
MFCD03033754
STK086614
ZINC000004672990
ZINC000004672991

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.