Vitas-M small molecule compound
2-({4-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl}amino)ethanol
Catalog ID
STK678085
SMILES OCCNc1nc(OCC(F)(F)F)nc(n1)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 C21H31F3N6O2 MW 456.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31F3N6O2/c22-21(23,24)13-32-19-27-17(25-1-6-31)26-18(28-19)29-2-4-30(5-3-29)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16,31H,1-13H2,(H,25,26,27,28)InChIKey
BDOVNEMZOFSQOI-UHFFFAOYSA-NSynonyms
2((4(4(1ADAMANTYL)PIPERAZIN1YL)6(222TRIFLUOROETHOXY)135TRIAZIN2YL)AMINO)ETHANOL
2((4(4(tricyclo(3311~37~)dec1yl)piperazin1yl)6(222trifluoroethoxy)135triazin2yl)amino)ethanol
2((4(4ADAMANTANYLPIPERAZINYL)6(222TRIFLUOROETHOXY)135TRIAZIN2YL)AMINO)ETHAN1OL
C1CN(CCN1C2=NC(=NC(=N2)OCC(F)(F)F)NCCO)C34CC5CC(C3)CC(C5)C4
InChI=1SC21H31F3N6O2c2221(2324)1332192717(251631)2618(2819)292430(5329)201014715(1120)916(814)1220h141631H113H2(H25262728)
MFCD03036361
ZINC000004079164
ZINC4079164
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