Vitas-M small molecule compound

3,3-dimethyl-1-(phenylsulfonyl)butan-2-one

Catalog ID
STK205549
SMILES O=C(C(C)(C)C)CS(=O)(=O)c1ccccc1

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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 C12H16O3S MW 240.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16O3S/c1-12(2,3)11(13)9-16(14,15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
KEXNSQSTQQRAOM-UHFFFAOYSA-N
Synonyms
81023-75-8
1(BENZENESULFONYL)33DIMETHYLBUTAN2ONE
1(PHENYLSULFONYL)33DIMETHYL2BUTANONE
33DIMETHYL1(PHENYLSULFONYL)2BUTANONE
33DIMETHYL1(PHENYLSULFONYL)BUTAN2ONE
81023758
CC(C)(C)C(=O)CS(=O)(=O)C1=CC=CC=C1
InChI=1SC12H16O3Sc112(23)11(13)916(1415)107546810h48H9H213H3
MFCD00025044
ZINC000000395146
ZINC00395146
ZINC395146

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Available files

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