Vitas-M small molecule compound
1-[3-(3-nitrophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
Catalog ID
STK375893
SMILES CCC(=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 C17H20N4O3 MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O3/c1-2-14(22)20-16(12-4-3-5-13(10-12)21(23)24)17-15(18-20)11-6-8-19(17)9-7-11/h3-5,10-11,16-17H,2,6-9H2,1H3InChIKey
JOSPDSUBUHTOLT-UHFFFAOYSA-NSynonyms
1(3(3nitrophenyl)33a67tetrahydro47ethanopyrazolo(43b)pyridin2(5H)yl)propan1one
CCC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC(=CC=C4)(N+)(=O)(O)
CCC(=O)N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))N1CCC2CC1
InChI=1SC17H20N4O3c1214(22)2016(1243513(1012)21(23)24)1715(1820)116819(17)9711h3510111617H269H21H3
MFCD01175832
ZINC000019770501
ZINC000019770504
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