Vitas-M small molecule compound
azepan-1-yl[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone
Catalog ID
STL184273
SMILES O=C(c1cn[nH]c1c1ccc(cc1)[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 C16H18N4O3 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3/c21-16(19-9-3-1-2-4-10-19)14-11-17-18-15(14)12-5-7-13(8-6-12)20(22)23/h5-8,11H,1-4,9-10H2,(H,17,18)InChIKey
RXNOFYGDSDORQK-UHFFFAOYSA-NSynonyms
azepan1yl(5(4nitrophenyl)1Hpyrazol4yl)methanone
C1CCCN(CC1)C(=O)C2=C(NN=C2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H18N4O3c2116(19931241019)1411171815(14)125713(8612)20(22)23h5811H14910H2(H1718)
MFCD22386415
O=C(c1cn(nH)c1c1ccc(cc1)(N+)(=O)(O))N1CCCCCC1
ZINC000072328738
ZINC72328738
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