Vitas-M small molecule compound

1-[(4-ethoxy-3-methylphenyl)sulfonyl]azepane

Catalog ID
STL196129
SMILES CCOc1ccc(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 C15H23NO3S MW 297.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H23NO3S/c1-3-19-15-9-8-14(12-13(15)2)20(17,18)16-10-6-4-5-7-11-16/h8-9,12H,3-7,10-11H2,1-2H3
InChIKey
IRQVWDOCITUFLJ-UHFFFAOYSA-N
Synonyms
838904-34-0
((4ETHOXY3METHYLPHENYL)SULFONYL)AZAPERHYDROEPINE
1((4ethoxy3methylphenyl)sulfonyl)azepane
1(4ETHOXY3METHYLPHENYL)SULFONYLAZEPANE
838904340
CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C
InChI=1SC15H23NO3Sc1319159814(1213(15)2)20(1718)161064571116h8912H371011H212H3
MFCD06635035
ZINC000004866438
ZINC04866438
ZINC4866438

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Available files

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