Vitas-M small molecule compound
1-{4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Catalog ID
STK171878
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NC1CC1)[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 C25H34N4O3 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N4O3/c30-24(16-25-13-17-9-18(14-25)11-19(10-17)15-25)28-7-5-27(6-8-28)21-3-4-23(29(31)32)22(12-21)26-20-1-2-20/h3-4,12,17-20,26H,1-2,5-11,13-16H2InChIKey
KXMVQWPTAKZRIT-UHFFFAOYSA-NSynonyms
1(4(3(cyclopropylamino)4nitrophenyl)piperazin1yl)2(tricyclo(3311~37~)dec1yl)ethanone
2(1ADAMANTYL)1(4(3(CYCLOPROPYLAMINO)4NITROPHENYL)PIPERAZIN1YL)ETHANONE
C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5)(N+)(=O)(O)
InChI=1SC25H34N4O3c3024(16251317918(1425)1119(1017)1525)287527(6828)213423(29(31)32)22(1221)26201220h3412172026H125111316H2
MFCD04075473
O=C(N1CCN(CC1)c1ccc(c(c1)NC1CC1)(N+)(=O)(O))CC12CC3CC(C2)CC(C1)C3
ZINC000009891895
ZINC09891895
ZINC9891895
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