Vitas-M small molecule compound
[3-chloro-5-(2-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
STK682095
SMILES COc1ccccc1c1cc(n2c(n1)c(Cl)c(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 C29H31ClF3N5O2 MW 574.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31ClF3N5O2/c1-40-22-5-3-2-4-20(22)21-13-23(29(31,32)33)38-26(34-21)24(30)25(35-38)27(39)36-6-8-37(9-7-36)28-14-17-10-18(15-28)12-19(11-17)16-28/h2-5,13,17-19H,6-12,14-16H2,1H3InChIKey
IIOXLBPNWMZACS-UHFFFAOYSA-NSynonyms
(3chloro5(2methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
(4(1ADAMANTYL)PIPERAZIN1YL)(3CHLORO5(2METHOXYPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
COC1=CC=CC=C1C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6)Cl
InChI=1SC29H31ClF3N5O2c14022532420(22)211323(29(3132)33)3826(3421)24(30)25(3538)27(39)366837(9736)2814171018(1528)1219(1117)1628h25131719H6121416H21H3
MFCD03821305
ZINC000098005771
ZINC98005771
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