Vitas-M small molecule compound

4-bromo-1-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Catalog ID
STK303326
SMILES O=C(c1n(C)nc(c1Br)C(F)(F)F)NC12CC3CC(C2)CC(C1)C3

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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 C16H19BrF3N3O MW 406.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19BrF3N3O/c1-23-12(11(17)13(22-23)16(18,19)20)14(24)21-15-5-8-2-9(6-15)4-10(3-8)7-15/h8-10H,2-7H2,1H3,(H,21,24)
InChIKey
RRJAROGUHFTSAF-UHFFFAOYSA-N
Synonyms
1005694-33-6
1005694336
4bromo1methylN(tricyclo(3311~37~)dec1yl)3(trifluoromethyl)1Hpyrazole5carboxamide
CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NC23CC4CC(C2)CC(C4)C3
InChI=1SC16H19BrF3N3Oc12312(11(17)13(2223)16(1819)20)14(24)21155829(615)410(38)715h810H27H21H3(H2124)
MFCD04044110
N(1adamantyl)4bromo2methyl5(trifluoromethyl)pyrazole3carboxamide
ZINC000006790298
ZINC06790298
ZINC6790298

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Available files

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