Vitas-M small molecule compound
7-ethyl-5,8a-dinitro-3-phenyloctahydro-1H-1,5-ethanopyrano[3,4-c]pyridin-9-one
Catalog ID
STK682013
SMILES CCN1CC2([N+](=O)[O-])C3OC(CC2C(C1)([N+](=O)[O-])C(=O)C3)c1ccccc1
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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 C18H21N3O6 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O6/c1-2-19-10-17(20(23)24)14-8-13(12-6-4-3-5-7-12)27-16(9-15(17)22)18(14,11-19)21(25)26/h3-7,13-14,16H,2,8-11H2,1H3InChIKey
SGNDBMZQIUABBA-UHFFFAOYSA-NSynonyms
7ethyl58adinitro3phenyloctahydro1H15ethanopyrano(34c)pyridin9one
CCN1CC2((N+)(=O)(O))C3OC(CC2C(C1)((N+)(=O)(O))C(=O)C3)c1ccccc1
CCN1CC2(C3CC(OC2CC(=O)C3(C1)(N+)(=O)(O))C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC18H21N3O6c12191017(20(23)24)14813(126435712)2716(915(17)22)18(141119)21(25)26h37131416H2811H21H3
MFCD03820966
ZINC000100145511
ZINC000249696190
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