Vitas-M small molecule compound
1-[3-(3-nitrophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethanone
Catalog ID
STL043175
SMILES CC(=O)N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])N1CCC2CC1
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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/c1-10(21)19-15(12-3-2-4-13(9-12)20(22)23)16-14(17-19)11-5-7-18(16)8-6-11/h2-4,9,11,15-16H,5-8H2,1H3InChIKey
QMRWUEGSQCBNKA-UHFFFAOYSA-NSynonyms
1(3(3nitrophenyl)33a67tetrahydro47ethanopyrazolo(43b)pyridin2(5H)yl)ethanone
CC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC(=CC=C4)(N+)(=O)(O)
CC(=O)N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))N1CCC2CC1
InChI=1SC16H18N4O3c110(21)1915(1232413(912)20(22)23)1614(1719)115718(16)8611h249111516H58H21H3
MFCD00748981
ZINC000019732236
ZINC000019732242
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