Vitas-M small molecule compound
(4-methylphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
Catalog ID
STK028840
SMILES Cc1ccc(cc1)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 C30H38N4O3 MW 502.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N4O3/c1-20-3-5-25(6-4-20)29(35)33-11-9-32(10-12-33)26-7-8-28(34(36)37)27(16-26)31-21(2)30-17-22-13-23(18-30)15-24(14-22)19-30/h3-8,16,21-24,31H,9-15,17-19H2,1-2H3InChIKey
DUPMRUDRSQREKR-UHFFFAOYSA-NSynonyms
(4(3((1((3r5r7r)adamantan1yl)ethyl)amino)4nitrophenyl)piperazin1yl)(ptolyl)methanone
(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(4METHYLPHENYL)METHANONE
(4methylphenyl)(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)methanone
4(3((ADAMANTANYLETHYL)AMINO)4NITROPHENYL)PIPERAZINYL4METHYLPHENYLKETONE
CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NC(C)C45CC6CC(C4)CC(C6)C5
Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
InChI=1SC30H38N4O3c1203525(6420)29(35)3311932(101233)267828(34(36)37)27(1626)3121(2)3017221323(1830)1524(1422)1930h3816212431H9151719H212H3
MFCD02625909
STK028840
ZINC000008816321
ZINC000008816322
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.