Vitas-M small molecule compound

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

Catalog ID
STK013065
SMILES Cc1ccc(cc1C)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 C14H21NO2S MW 267.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21NO2S/c1-12-7-8-14(11-13(12)2)18(16,17)15-9-5-3-4-6-10-15/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
HIBGFAJLCLGXCJ-UHFFFAOYSA-N
Synonyms
392235-97-1
((34DIMETHYLPHENYL)SULFONYL)AZAPERHYDROEPINE
1((34DIMETHYLPHENYL)SULFONYL)AZEPANE
1(34DIMETHYLBENZENESULFONYL)AZEPANE
1(34DIMETHYLPHENYL)SULFONYLAZEPANE
392235971
CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C
Cc1ccc(cc1C)S(=O)(=O)N1CCCCCC1
InChI=1SC14H21NO2Sc1127814(1113(12)2)18(1617)15953461015h7811H36910H212H3
MFCD01116091
STK013065
ZINC000000267606
ZINC00267606
ZINC267606

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Available files

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