Vitas-M small molecule compound

1-(azepan-1-yl)-2-[4-(piperidin-1-ylsulfonyl)phenoxy]ethanone

Catalog ID
STK891794
SMILES O=C(N1CCCCCC1)COc1ccc(cc1)S(=O)(=O)N1CCCCC1

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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 C19H28N2O4S MW 380.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28N2O4S/c22-19(20-12-4-1-2-5-13-20)16-25-17-8-10-18(11-9-17)26(23,24)21-14-6-3-7-15-21/h8-11H,1-7,12-16H2
InChIKey
WHWSRCAQSNPCNS-UHFFFAOYSA-N
Synonyms

1((4(1PIPERIDINYLSULFONYL)PHENOXY)ACETYL)AZEPANE
1(azepan1yl)2(4(piperidin1ylsulfonyl)phenoxy)ethanone
1(AZEPAN1YL)2(4PIPERIDIN1YLSULFONYLPHENOXY)ETHANONE
C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
InChI=1SC19H28N2O4Sc2219(201241251320)16251781018(11917)26(2324)21146371521h811H171216H2
MFCD06632477
ZINC000002888889
ZINC02888889
ZINC2888889

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Available files

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