Vitas-M small molecule compound
(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
STK148973
SMILES COc1ccc(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 C30H38N4O4 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N4O4/c1-20(30-17-21-13-22(18-30)15-23(14-21)19-30)31-27-16-25(5-8-28(27)34(36)37)32-9-11-33(12-10-32)29(35)24-3-6-26(38-2)7-4-24/h3-8,16,20-23,31H,9-15,17-19H2,1-2H3InChIKey
VULILEPIZQUVRS-UHFFFAOYSA-NSynonyms
(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(4METHOXYPHENYL)METHANONE
(4methoxyphenyl)(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)methanone
4(3((ADAMANTANYLETHYL)AMINO)4NITROPHENYL)PIPERAZINYL4METHOXYPHENYLKETONE
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=C(C=C6)OC)(N+)(=O)(O)
COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
InChI=1SC30H38N4O4c120(3017211322(1830)1523(1421)1930)31271625(5828(27)34(36)37)3291133(121032)29(35)243626(382)7424h3816202331H9151719H212H3
MFCD02632047
ZINC000008816307
ZINC000008816620
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.