Vitas-M small molecule compound
2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethanone
Catalog ID
STK679942
SMILES Fc1ccc(cc1)c1nc(SCC(=O)N2CCN(CC2)C23CC4CC(C3)CC(C2)C4)nc(c1)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 C27H30F4N4OS MW 534.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30F4N4OS/c28-21-3-1-20(2-4-21)22-12-23(27(29,30)31)33-25(32-22)37-16-24(36)34-5-7-35(8-6-34)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-4,12,17-19H,5-11,13-16H2InChIKey
OXFNGVCONGIWPX-UHFFFAOYSA-NSynonyms
1(4(1ADAMANTYL)PIPERAZIN1YL)2(4(4FLUOROPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYLETHANONE
2((4(4fluorophenyl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)1(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethanone
C1CN(CCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F)C45CC6CC(C4)CC(C6)C5
InChI=1SC27H30F4N4OSc28213120(2421)221223(27(2930)31)3325(3222)371624(36)345735(8634)261317918(1426)1119(1017)1526h14121719H5111316H2
MFCD03766507
ZINC000033354947
ZINC33354947
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