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]ethanone
Catalog ID
STK148959
SMILES CC(=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 C24H34N4O3 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34N4O3/c1-16(24-13-18-9-19(14-24)11-20(10-18)15-24)25-22-12-21(3-4-23(22)28(30)31)27-7-5-26(6-8-27)17(2)29/h3-4,12,16,18-20,25H,5-11,13-15H2,1-2H3InChIKey
VJRUFQJLUFPNAE-UHFFFAOYSA-NSynonyms
1(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)ETHANONE
1(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)ethanone
CC(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)C)(N+)(=O)(O)
InChI=1SC24H34N4O3c116(241318919(1424)1120(1018)1524)25221221(3423(22)28(30)31)277526(6827)17(2)29h341216182025H5111315H212H3
MFCD02632033
ZINC000004144158
ZINC000004144159
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