Vitas-M small molecule compound

1-[(2-methylbenzyl)sulfonyl]azepane

Catalog ID
STL223602
SMILES Cc1ccccc1CS(=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 C14H21NO2S MW 267.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21NO2S/c1-13-8-4-5-9-14(13)12-18(16,17)15-10-6-2-3-7-11-15/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKey
MCAJHTUVVXTGJX-UHFFFAOYSA-N
Synonyms

1((2methylbenzyl)sulfonyl)azepane
1((2methylphenyl)methylsulfonyl)azepane
CC1=CC=CC=C1CS(=O)(=O)N2CCCCCC2
InChI=1SC14H21NO2Sc113845914(13)1218(1617)151062371115h4589H23671012H21H3
MFCD09871800
ZINC000016578931
ZINC16578931

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Available files

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