Vitas-M small molecule compound
[5-(3,4-dimethoxyphenyl)-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
STK679665
SMILES COc1cc(ccc1OC)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 C30H34F3N5O3 MW 569.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34F3N5O3/c1-40-24-4-3-21(12-25(24)41-2)23-13-26(30(31,32)33)38-27(35-23)22(17-34-38)28(39)36-5-7-37(8-6-36)29-14-18-9-19(15-29)11-20(10-18)16-29/h3-4,12-13,17-20H,5-11,14-16H2,1-2H3InChIKey
CDRISLIZTXQXLD-UHFFFAOYSA-NSynonyms
(4(1ADAMANTYL)PIPERAZIN1YL)(5(34DIMETHOXYPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN3YL)METHANONE
(5(34dimethoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin3yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
COC1=C(C=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6)OC
InChI=1SC30H34F3N5O3c140244321(1225(24)412)231326(30(3132)33)3827(3523)22(173438)28(39)365737(8636)291418919(1529)1120(1018)1629h3412131720H5111416H212H3
MFCD03764137
ZINC000098005100
ZINC98005100
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