Vitas-M small molecule compound
azepan-1-yl{1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Catalog ID
STK309236
SMILES O=C(c1ccn(n1)COc1ccccc1[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 C17H20N4O4 MW 344.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O4/c22-17(19-10-5-1-2-6-11-19)14-9-12-20(18-14)13-25-16-8-4-3-7-15(16)21(23)24/h3-4,7-9,12H,1-2,5-6,10-11,13H2InChIKey
YNYLVKDMRIIGLM-UHFFFAOYSA-NSynonyms
1005601-52-41005601524
AZAPERHYDROEPINYL1((2NITROPHENOXY)METHYL)PYRAZOL3YLKETONE
azepan1yl(1((2nitrophenoxy)methyl)1Hpyrazol3yl)methanone
AZEPAN1YL(1((2NITROPHENOXY)METHYL)PYRAZOL3YL)METHANONE
C1CCCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC17H20N4O4c2217(191051261119)1491220(1814)132516843715(16)21(23)24h347912H1256101113H2
MFCD04051682
O=C(c1ccn(n1)COc1ccccc1(N+)(=O)(O))N1CCCCCC1
ZINC000002800127
ZINC02800127
ZINC2800127
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