CAS 845614-11-1 appears in our catalog under these names: Bitopertin, Bitopertin/ 100%, Bitopertin, 99.90%, Bitopertin (Standard), Bitopertin, 99%. Offered by: GLPBio, TargetMol, MedChemExpress, Chemat, Sigma-Aldrich. Available pack sizes: 10mg, 100mg, 25mg, 5mg, 10mM (in 1ml dmso), 50mg, 2mg, 100 mg.
[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone (CAS 845614-11-1) is a chemical compound with the molecular formula C21H20F7N3O4S and a molecular weight of 543.5 g/mol. IUPAC name: [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone. InChIKey: YUUGYIUSCYNSQR-LBPRGKRZSA-N.
| Molecular formula | C21H20F7N3O4S |
|---|---|
| Molecular weight | 543.5 g/mol |
| IUPAC name | [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone |
| InChIKey | YUUGYIUSCYNSQR-LBPRGKRZSA-N |
| SMILES | C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F |
Computed by PubChem (NCBI)