Vitas-M small molecule compound

1-(methylsulfonyl)-6,8-dinitro-1,2,3,4-tetrahydroquinoline

Catalog ID
STK664777
SMILES [O-][N+](=O)c1cc(cc2c1N(CCC2)S(=O)(=O)C)[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 C10H11N3O6S MW 301.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H11N3O6S/c1-20(18,19)11-4-2-3-7-5-8(12(14)15)6-9(10(7)11)13(16)17/h5-6H,2-4H2,1H3
InChIKey
VCIRXZMQCCJSAV-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(cc2c1N(CCC2)S(=O)(=O)C)(N+)(=O)(O)
1(methylsulfonyl)68dinitro1234tetrahydroquinoline
1METHYLSULFONYL68DINITRO34DIHYDRO2HQUINOLINE
CS(=O)(=O)N1CCCC2=CC(=CC(=C21)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC10H11N3O6Sc120(1819)11423758(12(14)15)69(10(7)11)13(16)17h56H24H21H3
MFCD07022009
ZINC000004761453
ZINC04761453
ZINC4761453

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.