Vitas-M small molecule compound

methyl 4,5-dimethyl-1-(methylsulfonyl)-2-(trifluoromethyl)-1,2,3,6-tetrahydropyridine-2-carboxylate

Catalog ID
STK679332
SMILES COC(=O)C1(CC(=C(CN1S(=O)(=O)C)C)C)C(F)(F)F

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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 C11H16F3NO4S MW 315.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H16F3NO4S/c1-7-5-10(9(16)19-3,11(12,13)14)15(6-8(7)2)20(4,17)18/h5-6H2,1-4H3
InChIKey
HZYHIRYFBSVGKQ-UHFFFAOYSA-N
Synonyms

CC1=C(CN(C(C1)(C(=O)OC)C(F)(F)F)S(=O)(=O)C)C
InChI=1SC11H16F3NO4Sc17510(9(16)19311(1213)14)15(68(7)2)20(417)18h56H214H3
METHYL34DIMETHYL1METHYLSULFONYL6(TRIFLUOROMETHYL)25DIHYDROPYRIDINE6CARBOXYLATE
methyl45dimethyl1(methylsulfonyl)2(trifluoromethyl)1236tetrahydropyridine2carboxylate
MFCD03409221
ZINC000002601200
ZINC000002601201

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Available files

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