Vitas-M small molecule compound

ethyl 5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Catalog ID
STK349301
SMILES CCOC(=O)c1cnn2c1nc(cc2C(F)(F)F)C12CC3CC(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 C20H22F3N3O2 MW 393.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F3N3O2/c1-2-28-18(27)14-10-24-26-16(20(21,22)23)6-15(25-17(14)26)19-7-11-3-12(8-19)5-13(4-11)9-19/h6,10-13H,2-5,7-9H2,1H3
InChIKey
CCQPPLOYAPNWBF-UHFFFAOYSA-N
Synonyms
676589-12-1
5ADAMANTAN1YL7TRIFLUOROMETHYLPYRAZOLO(15A
5ADAMANTAN1YL7TRIFLUOROMETHYLPYRAZOLO(15A)PYRIMIDINE3CARBOXYLICACIDETHYLESTER
676589121
CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C34CC5CC(C3)CC(C5)C4
ETHYL5(1ADAMANTYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE3CARBOXYLATE
ETHYL5(ADAMANTAN1YL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE3CARBOXYLATE
ethyl5(tricyclo(3311~37~)dec1yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine3carboxylate
ETHYL5ADAMANTANYL7(TRIFLUOROMETHYL)8HYDROPYRAZOLO(15A)PYRIMIDINE3CARBOXYLATE
InChI=1SC20H22F3N3O2c122818(27)1410242616(20(2122)23)615(2517(14)26)19711312(819)513(411)919h61013H2579H21H3
MFCD03468334
ZINC000004294269
ZINC04294269
ZINC4294269

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Available files

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