Vitas-M small molecule compound

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

Catalog ID
STK157748
SMILES O=C(C(C)(C)C)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 C25H36N4O3 MW 440.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N4O3/c1-25(2,3)24(30)28-8-6-27(7-9-28)20-4-5-22(29(31)32)21(15-20)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,15-19,23,26H,6-14H2,1-3H3
InChIKey
MPCWEOFKEKKGAH-UHFFFAOYSA-N
Synonyms
591736-29-7
1(4(3((1r3r5r7r)adamantan2ylamino)4nitrophenyl)piperazin1yl)22dimethylpropan1one
1(4(3(2ADAMANTYLAMINO)4NITROPHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
22dimethyl1(4(4nitro3(tricyclo(3311~37~)dec2ylamino)phenyl)piperazin1yl)propan1one
591736297
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NC3C4CC5CC(C4)CC3C5
InChI=1SC25H36N4O3c125(23)24(30)288627(7928)204522(29(31)32)21(1520)26231811161017(1318)1419(23)1216h4515192326H614H213H3
MFCD03691311
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NC1C2CC3CC1CC(C2)C3)(N+)(=O)(O)
ZINC000009007761
ZINC09007761
ZINC9007761

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Available files

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