Vitas-M small molecule compound
2-methyl-3,5-dinitrobenzenesulfonate
Catalog ID
STK377864
SMILES [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)S(=O)(=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 C7H5N2O7S MW 261.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H6N2O7S/c1-4-6(9(12)13)2-5(8(10)11)3-7(4)17(14,15)16/h2-3H,1H3,(H,14,15,16)/p-1InChIKey
KFHPDUJFQBXXQY-UHFFFAOYSA-MSynonyms
(O)(N+)(=O)c1cc((N+)(=O)(O))c(c(c1)S(=O)(=O)(O))C
2methyl35dinitrobenzenesulfonate
CC1=C(C=C(C=C1S(=O)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC7H6N2O7Sc146(9(12)13)25(8(10)11)37(4)17(1415)16h23H1H3(H141516)p1
MFCD00451038
ZINC000001669672
ZINC01669672
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