Vitas-M small molecule compound
[5-(4-methylphenyl)-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
STK683183
SMILES O=C(c1cc2n(n1)c(cc(n2)c1ccc(cc1)C)C(F)(F)F)N1CCN(CC1)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 C29H32F3N5O MW 523.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32F3N5O/c1-18-2-4-22(5-3-18)23-13-25(29(30,31)32)37-26(33-23)14-24(34-37)27(38)35-6-8-36(9-7-35)28-15-19-10-20(16-28)12-21(11-19)17-28/h2-5,13-14,19-21H,6-12,15-17H2,1H3InChIKey
QYXDJGTURCUABR-UHFFFAOYSA-NSynonyms
(4(1ADAMANTYL)PIPERAZIN1YL)(5(4METHYLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
(5(4methylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
CC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6
InChI=1SC29H32F3N5Oc1182422(5318)231325(29(3031)32)3726(3323)1424(3437)27(38)356836(9735)2815191020(1628)1221(1119)1728h2513141921H6121517H21H3
MFCD05256976
ZINC000012461956
ZINC12461956
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