Vitas-M small molecule compound

1-[(2,5-dimethoxyphenyl)sulfonyl]azepane

Catalog ID
STK099879
SMILES COc1ccc(cc1S(=O)(=O)N1CCCCCC1)OC

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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 C14H21NO4S MW 299.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21NO4S/c1-18-12-7-8-13(19-2)14(11-12)20(16,17)15-9-5-3-4-6-10-15/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
HSAJGADWBPFQPE-UHFFFAOYSA-N
Synonyms

((25DIMETHOXYPHENYL)SULFONYL)AZAPERHYDROEPINE
1((25DIMETHOXYPHENYL)SULFONYL)AZEPANE
1(25DIMETHOXYBENZENESULFONYL)AZEPANE
1(25DIMETHOXYPHENYL)SULFONYLAZEPANE
COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2
COc1ccc(cc1S(=O)(=O)N1CCCCCC1)OC
InChI=1SC14H21NO4Sc118127813(192)14(1112)20(1617)15953461015h7811H36910H212H3
MFCD01116406
STK099879
ZINC000000267113
ZINC00267113
ZINC267113

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Available files

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