Vitas-M small molecule compound
2-chloro-6-methyl-8,8-dinitro-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
Catalog ID
STK693690
SMILES N#Cc1c2CC(C)CC(c2nc(c1C#N)Cl)([N+](=O)[O-])[N+](=O)[O-]
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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 C12H8ClN5O4 MW 321.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8ClN5O4/c1-6-2-7-8(4-14)9(5-15)11(13)16-10(7)12(3-6,17(19)20)18(21)22/h6H,2-3H2,1H3InChIKey
WTAVRBKZKGUDNC-UHFFFAOYSA-NSynonyms
2chloro6methyl88dinitro5678tetrahydroquinoline34dicarbonitrile
2chloro6methyl88dinitro67dihydro5Hquinoline34dicarbonitrile
CC1CC2=C(C(C1)((N+)(=O)(O))(N+)(=O)(O))N=C(C(=C2C#N)C#N)Cl
InChI=1SC12H8ClN5O4c16278(414)9(515)11(13)1610(7)12(3617(19)20)18(21)22h6H23H21H3
MFCD12033783
N#Cc1c2CC(C)CC(c2nc(c1C#N)Cl)((N+)(=O)(O))(N+)(=O)(O)
ZINC000019332917
ZINC000019332921
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