Vitas-M small molecule compound

1-[(3,4-difluorophenyl)sulfonyl]azepane

Catalog ID
STK435919
SMILES Fc1ccc(cc1F)S(=O)(=O)N1CCCCCC1

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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 C12H15F2NO2S MW 275.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15F2NO2S/c13-11-6-5-10(9-12(11)14)18(16,17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2
InChIKey
BVXVUFMHKDUZNU-UHFFFAOYSA-N
Synonyms

1((34difluorophenyl)sulfonyl)azepane
1(34DIFLUOROPHENYL)SULFONYLAZEPANE
4(AZAPERHYDROEPINYLSULFONYL)12DIFLUOROBENZENE
C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)F
InChI=1SC12H15F2NO2Sc13116510(912(11)14)18(1617)1573124815h569H1478H2
MFCD03944268
ZINC000006861878
ZINC06861878
ZINC6861878

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Available files

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