Vitas-M small molecule compound

1-{4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

Catalog ID
STK172052
SMILES CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=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 C24H34N4O3 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34N4O3/c1-2-25-21-12-20(3-4-22(21)28(30)31)26-5-7-27(8-6-26)23(29)16-24-13-17-9-18(14-24)11-19(10-17)15-24/h3-4,12,17-19,25H,2,5-11,13-16H2,1H3
InChIKey
ZKQOOVCWYXUDSW-UHFFFAOYSA-N
Synonyms

1(4(3(ethylamino)4nitrophenyl)piperazin1yl)2(tricyclo(3311~37~)dec1yl)ethanone
2(1ADAMANTYL)1(4(3(ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)ETHANONE
2ADAMANTANYL1(4(3(ETHYLAMINO)4NITROPHENYL)PIPERAZINYL)ETHAN1ONE
CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)(N+)(=O)(O)
CCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)CC12CC3CC(C2)CC(C1)C3
InChI=1SC24H34N4O3c1225211220(3422(21)28(30)31)265727(8626)23(29)16241317918(1424)1119(1017)1524h3412171925H25111316H21H3
MFCD05661685
ZINC000004125123
ZINC04125123
ZINC4125123

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Available files

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