Vitas-M small molecule compound

4,6-dimethyl-3-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]pyridin-2-ol

Catalog ID
STK619575
SMILES Cc1cc(C)c(c(n1)O)C1=NCCNC(=C1)C(C(F)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 C14H15F4N3O MW 317.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15F4N3O/c1-7-5-8(2)21-12(22)11(7)9-6-10(20-4-3-19-9)14(17,18)13(15)16/h5-6,13,20H,3-4H2,1-2H3,(H,21,22)
InChIKey
OQHBTBGWOIOIDO-UHFFFAOYSA-N
Synonyms
919741-44-9
46dimethyl3(7(1122tetrafluoroethyl)23dihydro1H14diazepin5yl)1Hpyridin2one
46dimethyl3(7(1122tetrafluoroethyl)23dihydro1H14diazepin5yl)pyridin2ol
919741449
CC1=CC(=C(C(=O)N1)C2=NCCNC(=C2)C(C(F)F)(F)F)C
InChI=1SC14H15F4N3Oc1758(2)2112(22)11(7)9610(2043199)14(1718)13(15)16h561320H34H212H3(H2122)
MFCD09798732
ZINC000001408951
ZINC01408951
ZINC100168998
ZINC1408951

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Available files

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