Vitas-M small molecule compound

4-(methylsulfonyl)-2,6-dinitroaniline

Catalog ID
STK669876
SMILES [O-][N+](=O)c1cc(cc(c1N)[N+](=O)[O-])S(=O)(=O)C

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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 C7H7N3O6S MW 261.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H7N3O6S/c1-17(15,16)4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,8H2,1H3
InChIKey
GZNCKEGJECDSPF-UHFFFAOYSA-N
Synonyms
42760-39-4
(O)(N+)(=O)c1cc(cc(c1N)(N+)(=O)(O))S(=O)(=O)C
4(methylsulfonyl)26dinitroaniline
42760394
4METHANESULFONYL26DINITROANILINE
4METHYLSULFONYL26DINITROANILINE
BENZENAMINE4(METHYLSULFONYL)26DINITRO
CS(=O)(=O)C1=CC(=C(C(=C1)(N+)(=O)(O))N)(N+)(=O)(O)
InChI=1SC7H7N3O6Sc117(1516)425(9(11)12)7(8)6(34)10(13)14h23H8H21H3
MFCD00159112
ZINC000004180213
ZINC04180213
ZINC4180213

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Available files

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