Vitas-M small molecule compound
1-(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Catalog ID
STK175357
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)[N+](=O)[O-])CC12CC3CC(C2)CC(C1)C3
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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/c1-21(25-5-3-2-4-6-25)31-27-16-26(7-8-28(27)34(36)37)32-9-11-33(12-10-32)29(35)20-30-17-22-13-23(18-30)15-24(14-22)19-30/h2-8,16,21-24,31H,9-15,17-20H2,1H3InChIKey
VFHLYEOMSLXLPM-UHFFFAOYSA-NSynonyms
1(4(4nitro3((1phenylethyl)amino)phenyl)piperazin1yl)2(tricyclo(3311~37~)dec1yl)ethanone
2(1ADAMANTYL)1(4(4NITRO3(1PHENYLETHYLAMINO)PHENYL)PIPERAZIN1YL)ETHANONE
CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5)(N+)(=O)(O)
InChI=1SC30H38N4O3c121(255324625)31271626(7828(27)34(36)37)3291133(121032)29(35)203017221323(1830)1524(1422)1930h2816212431H9151720H21H3
MFCD04082523
O=C(N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)(N+)(=O)(O))CC12CC3CC(C2)CC(C1)C3
ZINC000009892481
ZINC000009892482
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