Vitas-M small molecule compound

1-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2,2-dimethylpropan-1-one

Catalog ID
STK487891
SMILES O=C(C(C)(C)C)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)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 C17H26N2O3S MW 338.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H26N2O3S/c1-13-6-7-15(12-14(13)2)23(21,22)19-10-8-18(9-11-19)16(20)17(3,4)5/h6-7,12H,8-11H2,1-5H3
InChIKey
CWWHENBGRRXQQZ-UHFFFAOYSA-N
Synonyms
925663-43-0
1(4((34dimethylphenyl)sulfonyl)piperazin1yl)22dimethylpropan1one
1(4((34DIMETHYLPHENYL)SULFONYL)PIPERAZINYL)22DIMETHYLPROPAN1ONE
1(4(34dimethylphenyl)sulfonylpiperazin1yl)22dimethylpropan1one
925663430
CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)(C)C)C
InChI=1SC17H26N2O3Sc1136715(1214(13)2)23(2122)1910818(91119)16(20)17(34)5h6712H811H215H3
MFCD09321629
ZINC000012698945
ZINC12698945

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Available files

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