Vitas-M small molecule compound
(3,5-dichloro-4-methoxyphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
Catalog ID
STK148661
SMILES COc1c(Cl)cc(cc1Cl)C(=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 C30H36Cl2N4O4 MW 587.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36Cl2N4O4/c1-18(30-15-19-9-20(16-30)11-21(10-19)17-30)33-26-14-23(3-4-27(26)36(38)39)34-5-7-35(8-6-34)29(37)22-12-24(31)28(40-2)25(32)13-22/h3-4,12-14,18-21,33H,5-11,15-17H2,1-2H3InChIKey
PURVSTMLJFXKRX-UHFFFAOYSA-NSynonyms
(35dichloro4methoxyphenyl)(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)methanone
(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(35DICHLORO4METHOXYPHENYL)METHANONE
4(3((ADAMANTANYLETHYL)AMINO)4NITROPHENYL)PIPERAZINYL35DICHLORO4METHOXYPHENYLKETONE
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC(=C(C(=C6)Cl)OC)Cl)(N+)(=O)(O)
COc1c(Cl)cc(cc1Cl)C(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
InChI=1SC30H36Cl2N4O4c118(301519920(1630)1121(1019)1730)33261423(3427(26)36(38)39)345735(8634)29(37)221224(31)28(402)25(32)1322h341214182133H5111517H212H3
MFCD02153061
ZINC000100217489
ZINC000100217494
Check stock
See real-time availability and sample size for STK148661 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.