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]-2-phenylethanone
Catalog ID
STK154804
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-])Cc1ccccc1
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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(30-18-23-13-24(19-30)15-25(14-23)20-30)31-27-17-26(7-8-28(27)34(36)37)32-9-11-33(12-10-32)29(35)16-22-5-3-2-4-6-22/h2-8,17,21,23-25,31H,9-16,18-20H2,1H3InChIKey
AQSIZOBBFWXYCY-UHFFFAOYSA-NSynonyms
662163-52-21(4(3((1((3r5r7r)adamantan1yl)ethyl)amino)4nitrophenyl)piperazin1yl)2phenylethanone
1(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)2PHENYLETHANONE
1(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)2phenylethanone
662163522
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)CC6=CC=CC=C6)(N+)(=O)(O)
InChI=1SC30H38N4O3c121(3018231324(1930)1525(1423)2030)31271726(7828(27)34(36)37)3291133(121032)29(35)16225324622h281721232531H9161820H21H3
MFCD04011800
O=C(N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O))Cc1ccccc1
ZINC000009312134
ZINC000009312135
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