Vitas-M small molecule compound
1-[2-fluoro-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]azepane
Catalog ID
STK682870
SMILES CN1CCN(CC1)c1cc(N2CCCCCC2)c(cc1[N+](=O)[O-])F
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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 C17H25FN4O2 MW 336.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25FN4O2/c1-19-8-10-21(11-9-19)16-13-15(14(18)12-17(16)22(23)24)20-6-4-2-3-5-7-20/h12-13H,2-11H2,1H3InChIKey
OXHLKKWMHZCRJW-UHFFFAOYSA-NSynonyms
1(2FLUORO5(4METHYL1PIPERAZINYL)4NITROPHENYL)AZEPANE
1(2fluoro5(4methylpiperazin1yl)4nitrophenyl)azepane
CN1CCN(CC1)c1cc(N2CCCCCC2)c(cc1(N+)(=O)(O))F
CN1CCN(CC1)C2=CC(=C(C=C2(N+)(=O)(O))F)N3CCCCCC3
InChI=1SC17H25FN4O2c11981021(11919)161315(14(18)1217(16)22(23)24)2064235720h1213H211H21H3
MFCD03448237
ZINC000004137911
ZINC4137911
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