Vitas-M small molecule compound

2-(3,5-dimethylphenoxy)-N-{2-[4-(methylsulfonyl)piperazin-1-yl]phenyl}acetamide

Catalog ID
STK344462
SMILES O=C(Nc1ccccc1N1CCN(CC1)S(=O)(=O)C)COc1cc(C)cc(c1)C

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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 C21H27N3O4S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S/c1-16-12-17(2)14-18(13-16)28-15-21(25)22-19-6-4-5-7-20(19)23-8-10-24(11-9-23)29(3,26)27/h4-7,12-14H,8-11,15H2,1-3H3,(H,22,25)
InChIKey
OOYKXAFHNSBIIJ-UHFFFAOYSA-N
Synonyms

2(35dimethylphenoxy)N(2(4(methylsulfonyl)piperazin1yl)phenyl)acetamide
2(35DIMETHYLPHENOXY)N(2(4METHANESULFONYLPIPERAZIN1YL)PHENYL)ACETAMIDE
2(35DIMETHYLPHENOXY)N(2(4METHYLSULFONYLPIPERAZIN1YL)PHENYL)ACETAMIDE
CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)C
InChI=1SC21H27N3O4Sc1161217(2)1418(1316)281521(25)2219645720(19)2381024(11923)29(326)27h471214H81115H213H3(H2225)
MFCD05807926
ZINC000006044121
ZINC06044121
ZINC6044121

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Available files

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