Vitas-M small molecule compound

4-amino-3,5-dinitrobenzenesulfonate

Catalog ID
STK870388
SMILES [O-][N+](=O)c1cc(cc(c1N)[N+](=O)[O-])S(=O)(=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 C6H4N3O7S MW 262.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H5N3O7S/c7-6-4(8(10)11)1-3(17(14,15)16)2-5(6)9(12)13/h1-2H,7H2,(H,14,15,16)/p-1
InChIKey
QDVQTSSPAQEFEN-UHFFFAOYSA-M
Synonyms

(O)(N+)(=O)c1cc(cc(c1N)(N+)(=O)(O))S(=O)(=O)(O)
4AMINO35DINITRO1BENZENESULFONICACIDKALIUMSALT
4amino35dinitrobenzenesulfonate
C1=C(C=C(C(=C1(N+)(=O)(O))N)(N+)(=O)(O))S(=O)(=O)(O)
InChI=1SC6H5N3O7Sc764(8(10)11)13(17(1415)16)25(6)9(12)13h12H7H2(H141516)p1
ZINC000004343318
ZINC04343318

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Available files

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