Vitas-M small molecule compound

2-methyl-1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]propan-1-one

Catalog ID
STK157814
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-])C(C)C

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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 C26H38N4O3 MW 454.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N4O3/c1-17(2)25(31)29-8-6-28(7-9-29)22-4-5-24(30(32)33)23(13-22)27-18(3)26-14-19-10-20(15-26)12-21(11-19)16-26/h4-5,13,17-21,27H,6-12,14-16H2,1-3H3
InChIKey
XGQMXOYHSGJTLC-UHFFFAOYSA-N
Synonyms
591736-91-3
1(4(3((1((3r5r7r)adamantan1yl)ethyl)amino)4nitrophenyl)piperazin1yl)2methylpropan1one
1(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)2METHYLPROPAN1ONE
2methyl1(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)propan1one
591736913
CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NC(C)C34CC5CC(C3)CC(C5)C4
InChI=1SC26H38N4O3c117(2)25(31)298628(7929)224524(30(32)33)23(1322)2718(3)2614191020(1526)1221(1119)1626h4513172127H6121416H213H3
MFCD03687973
O=C(N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O))C(C)C
ZINC000009317630
ZINC000009317641

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Available files

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