Vitas-M small molecule compound
1-{4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Catalog ID
STK172392
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[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 C27H38N4O3 MW 466.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N4O3/c32-26(19-27-16-20-12-21(17-27)14-22(13-20)18-27)30-10-8-28(9-11-30)23-4-5-24(31(33)34)25(15-23)29-6-2-1-3-7-29/h4-5,15,20-22H,1-3,6-14,16-19H2InChIKey
ZASMDTYWDZPVLR-UHFFFAOYSA-NSynonyms
1(4(4nitro3(piperidin1yl)phenyl)piperazin1yl)2(tricyclo(3311~37~)dec1yl)ethanone
2(1ADAMANTYL)1(4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZIN1YL)ETHANONE
C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5)(N+)(=O)(O)
InChI=1SC27H38N4O3c3226(192716201221(1727)1422(1320)1827)3010828(91130)234524(31(33)34)25(1523)296213729h45152022H136141619H2
MFCD04218692
O=C(N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)(N+)(=O)(O))CC12CC3CC(C2)CC(C1)C3
ZINC000009891979
ZINC09891979
ZINC9891979
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