Vitas-M small molecule compound
1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}propan-1-one
Catalog ID
STK768158
SMILES CCC(=O)N1CCN(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 C19H27FN4O3 MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27FN4O3/c1-2-19(25)23-11-9-22(10-12-23)17-14-16(15(20)13-18(17)24(26)27)21-7-5-3-4-6-8-21/h13-14H,2-12H2,1H3InChIKey
XKULUZRVUPFECN-UHFFFAOYSA-NSynonyms
1(4(5(azepan1yl)4fluoro2nitrophenyl)piperazin1yl)propan1one
1(4(5AZAPERHYDROEPINYL4FLUORO2NITROPHENYL)PIPERAZINYL)PROPAN1ONE
CCC(=O)N1CCN(CC1)c1cc(N2CCCCCC2)c(cc1(N+)(=O)(O))F
CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2(N+)(=O)(O))F)N3CCCCCC3
InChI=1SC19H27FN4O3c1219(25)2311922(101223)171416(15(20)1318(17)24(26)27)2175346821h1314H212H21H3
MFCD03139520
ZINC000004163980
ZINC04163980
ZINC4163980
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