Vitas-M small molecule compound
[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl][4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methanone
Catalog ID
STK682096
SMILES COc1ccc(cc1)c1cc(n2c(n1)cc(n2)C(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)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 C29H32F3N5O2 MW 539.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32F3N5O2/c1-39-22-4-2-21(3-5-22)23-13-25(29(30,31)32)37-26(33-23)14-24(34-37)27(38)35-6-8-36(9-7-35)28-15-18-10-19(16-28)12-20(11-18)17-28/h2-5,13-14,18-20H,6-12,15-17H2,1H3InChIKey
UPJJXDJTPWIULJ-UHFFFAOYSA-NSynonyms
(4(1ADAMANTYL)PIPERAZIN1YL)(5(4METHOXYPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
(5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6
InChI=1SC29H32F3N5O2c139224221(3522)231325(29(3031)32)3726(3323)1424(3437)27(38)356836(9735)2815181019(1628)1220(1118)1728h2513141820H6121517H21H3
MFCD03821306
ZINC000098005772
ZINC98005772
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