Vitas-M small molecule compound
[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl][4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methanone
Catalog ID
STK683184
SMILES COc1ccc(cc1)c1cc(n2c(n1)c(cn2)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)24-13-25(29(30,31)32)37-26(34-24)23(17-33-37)27(38)35-6-8-36(9-7-35)28-14-18-10-19(15-28)12-20(11-18)16-28/h2-5,13,17-20H,6-12,14-16H2,1H3InChIKey
FQFGVFBAQWMFLS-UHFFFAOYSA-NSynonyms
(4(1ADAMANTYL)PIPERAZIN1YL)(5(4METHOXYPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN3YL)METHANONE
(5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin3yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6
InChI=1SC29H32F3N5O2c139224221(3522)241325(29(3031)32)3726(3424)23(173337)27(38)356836(9735)2814181019(1528)1220(1118)1628h25131720H6121416H21H3
MFCD05256977
ZINC000098005995
ZINC98005995
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