Vitas-M small molecule compound

1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one

Catalog ID
STK777023
SMILES O=C(N1CCN(CC1)c1cc(N2CCCCCC2)c(cc1[N+](=O)[O-])F)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 C20H29FN4O3 MW 392.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29FN4O3/c1-15(2)20(26)24-11-9-23(10-12-24)18-14-17(16(21)13-19(18)25(27)28)22-7-5-3-4-6-8-22/h13-15H,3-12H2,1-2H3
InChIKey
JFELPALBMVIYPE-UHFFFAOYSA-N
Synonyms

1(4(5(azepan1yl)4fluoro2nitrophenyl)piperazin1yl)2methylpropan1one
CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2(N+)(=O)(O))F)N3CCCCCC3
InChI=1SC20H29FN4O3c115(2)20(26)2411923(101224)181417(16(21)1319(18)25(27)28)2275346822h1315H312H212H3
MFCD04213836
O=C(N1CCN(CC1)c1cc(N2CCCCCC2)c(cc1(N+)(=O)(O))F)C(C)C
ZINC000004624277
ZINC04624277
ZINC4624277

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.