Vitas-M small molecule compound

1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]ethanone

Catalog ID
STK683728
SMILES O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)Cn1nc(c2c1CCC2)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 C23H31F3N4O MW 436.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31F3N4O/c24-23(25,26)21-18-2-1-3-19(18)30(27-21)14-20(31)28-4-6-29(7-5-28)22-11-15-8-16(12-22)10-17(9-15)13-22/h15-17H,1-14H2
InChIKey
YGSYGSPFZBVCMR-UHFFFAOYSA-N
Synonyms

1(4(1ADAMANTYL)PIPERAZIN1YL)2(3(TRIFLUOROMETHYL)56DIHYDRO4HCYCLOPENTA(C)PYRAZOL1YL)ETHANONE
1(4(tricyclo(3311~37~)dec1yl)piperazin1yl)2(3(trifluoromethyl)56dihydrocyclopenta(c)pyrazol1(4H)yl)ethanone
C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5
InChI=1SC23H31F3N4Oc2423(2526)211821319(18)30(2721)1420(31)284629(7528)221115816(1222)1017(915)1322h1517H114H2
MFCD05258629
ZINC000012363444
ZINC12363444

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Available files

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