Vitas-M small molecule compound
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]azepane
Catalog ID
STK157993
SMILES Cc1nn(c(c1)C)c1cc(ccc1[N+](=O)[O-])N1CCCCCC1
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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 C17H22N4O2 MW 314.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O2/c1-13-11-14(2)20(18-13)17-12-15(7-8-16(17)21(22)23)19-9-5-3-4-6-10-19/h7-8,11-12H,3-6,9-10H2,1-2H3InChIKey
YXTIUSWPJDGSTG-UHFFFAOYSA-NSynonyms
591726-41-91(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)AZEPANE
1(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)AZEPANE
591726419
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCCCCC3)(N+)(=O)(O))C
Cc1nn(c(c1)C)c1cc(ccc1(N+)(=O)(O))N1CCCCCC1
InChI=1SC17H22N4O2c1131114(2)20(1813)171215(7816(17)21(22)23)19953461019h781112H36910H212H3
MFCD03688061
ZINC000004688272
ZINC04688272
ZINC4688272
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