Vitas-M small molecule compound
1-(4-{3-[(2-methylpropyl)amino]-4-nitrophenyl}piperazin-1-yl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Catalog ID
STK205955
SMILES CC(CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)CC12CC3CC(C2)CC(C1)C3)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/c1-18(2)17-27-23-12-22(3-4-24(23)30(32)33)28-5-7-29(8-6-28)25(31)16-26-13-19-9-20(14-26)11-21(10-19)15-26/h3-4,12,18-21,27H,5-11,13-17H2,1-2H3InChIKey
RBFOLROVIQFXMU-UHFFFAOYSA-NSynonyms
1(4(3((2methylpropyl)amino)4nitrophenyl)piperazin1yl)2(tricyclo(3311~37~)dec1yl)ethanone
2(1ADAMANTYL)1(4(3(2METHYLPROPYLAMINO)4NITROPHENYL)PIPERAZIN1YL)ETHANONE
CC(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)(N+)(=O)(O)
CC(CNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)CC12CC3CC(C2)CC(C1)C3)C
InChI=1SC26H38N4O3c118(2)1727231222(3424(23)30(32)33)285729(8628)25(31)16261319920(1426)1121(1019)1526h3412182127H5111317H212H3
MFCD06167701
ZINC000009971746
ZINC09971746
ZINC9971746
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