Vitas-M small molecule compound
1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Catalog ID
STK172376
SMILES O=C(N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC12CC3CC(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 C23H27F3N4O5 MW 496.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27F3N4O5/c24-23(25,26)17-8-18(29(32)33)21(19(9-17)30(34)35)28-3-1-27(2-4-28)20(31)13-22-10-14-5-15(11-22)7-16(6-14)12-22/h8-9,14-16H,1-7,10-13H2InChIKey
ZGQRFYFXZASGKI-UHFFFAOYSA-NSynonyms
673444-60-51(4(26dinitro4(trifluoromethyl)phenyl)piperazin1yl)2(tricyclo(3311~37~)dec1yl)ethanone
2(1ADAMANTYL)1(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)ETHANONE
673444605
C1CN(CCN1C2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))C(=O)CC34CC5CC(C3)CC(C5)C4
InChI=1SC23H27F3N4O5c2423(2526)17818(29(32)33)21(19(917)30(34)35)283127(2428)20(31)13221014515(1122)716(614)1222h891416H171013H2
MFCD04071901
O=C(N1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))CC12CC3CC(C2)CC(C1)C3
ZINC000009891973
ZINC09891973
ZINC9891973
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