Vitas-M small molecule compound
4-(2,2-dicyanoethenyl)phenyl 2-nitrobenzenesulfonate
Catalog ID
STK064510
SMILES N#CC(=Cc1ccc(cc1)OS(=O)(=O)c1ccccc1[N+](=O)[O-])C#N
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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 C16H9N3O5S MW 355.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9N3O5S/c17-10-13(11-18)9-12-5-7-14(8-6-12)24-25(22,23)16-4-2-1-3-15(16)19(20)21/h1-9HInChIKey
CAZLGXFAFVMFQA-UHFFFAOYSA-NSynonyms
(4(22DICYANOETHENYL)PHENYL)2NITROBENZENESULFONATE
4(22DICYANOETHENYL)PHENYL2NITROBENZENESULFONATE
C1=CC=C(C(=C1)(N+)(=O)(O))S(=O)(=O)OC2=CC=C(C=C2)C=C(C#N)C#N
InChI=1SC16H9N3O5Sc171013(1118)9125714(8612)2425(2223)16421315(16)19(20)21h19H
MFCD02124340
N#CC(=Cc1ccc(cc1)OS(=O)(=O)c1ccccc1(N+)(=O)(O))C#N
STK064510
ZINC000006222496
ZINC06222496
ZINC6222496
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