Vitas-M small molecule compound
1-[3-(4-nitrophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethanone
Catalog ID
STK838591
SMILES CC(=O)N1N=C2C(C1c1ccc(cc1)[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(12-2-4-13(5-3-12)20(22)23)16-14(17-19)11-6-8-18(16)9-7-11/h2-5,11,15-16H,6-9H2,1H3InChIKey
OMTQXFHLBYPEMY-UHFFFAOYSA-NSynonyms
1(3(4nitrophenyl)33a67tetrahydro47ethanopyrazolo(43b)pyridin2(5H)yl)ethanone
CC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC=C(C=C4)(N+)(=O)(O)
CC(=O)N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))N1CCC2CC1
InChI=1SC16H18N4O3c110(21)1915(122413(5312)20(22)23)1614(1719)116818(16)9711h25111516H69H21H3
MFCD02168007
ZINC000019791335
ZINC000019791338
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