Vitas-M small molecule compound

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

Catalog ID
STK154757
SMILES CCC(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[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/c1-3-24(30)28-8-6-27(7-9-28)21-4-5-23(29(31)32)22(13-21)26-17(2)25-14-18-10-19(15-25)12-20(11-18)16-25/h4-5,13,17-20,26H,3,6-12,14-16H2,1-2H3
InChIKey
IBTXYTZJSBJBFT-UHFFFAOYSA-N
Synonyms
593237-80-0
1(4(3((1((3r5r7r)adamantan1yl)ethyl)amino)4nitrophenyl)piperazin1yl)propan1one
1(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)PROPAN1ONE
1(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)propan1one
593237800
CCC(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NC(C)C34CC5CC(C3)CC(C5)C4
InChI=1SC25H36N4O3c1324(30)288627(7928)214523(29(31)32)22(1321)2617(2)2514181019(1525)1220(1118)1625h4513172026H36121416H212H3
MFCD03690838
ZINC000008837130
ZINC000008927606

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Available files

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