Vitas-M small molecule compound

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

Catalog ID
STK158136
SMILES CC(=O)N1CCN(CC1)c1ccc(c(c1)NC1C2CC3CC1CC(C2)C3)[N+](=O)[O-]

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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 C22H30N4O3 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O3/c1-14(27)24-4-6-25(7-5-24)19-2-3-21(26(28)29)20(13-19)23-22-17-9-15-8-16(11-17)12-18(22)10-15/h2-3,13,15-18,22-23H,4-12H2,1H3
InChIKey
VVGPCYCJLMRWIG-UHFFFAOYSA-N
Synonyms
593237-82-2
1(4(3((1r3r5r7r)adamantan2ylamino)4nitrophenyl)piperazin1yl)ethanone
1(4(3(2ADAMANTYLAMINO)4NITROPHENYL)PIPERAZIN1YL)ETHANONE
1(4(4nitro3(tricyclo(3311~37~)dec2ylamino)phenyl)piperazin1yl)ethanone
593237822
CC(=O)N1CCN(CC1)c1ccc(c(c1)NC1C2CC3CC1CC(C2)C3)(N+)(=O)(O)
CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NC3C4CC5CC(C4)CC3C5
InChI=1SC22H30N4O3c114(27)244625(7524)192321(26(28)29)20(1319)232217915816(1117)1218(22)1015h231315182223H412H21H3
MFCD03685324
ZINC000004688299
ZINC04688299
ZINC4688299

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.