Vitas-M small molecule compound
3-{[4-(methylsulfonyl)-2,6-dinitrophenyl]amino}propanenitrile
Catalog ID
STK826115
SMILES N#CCCNc1c(cc(cc1[N+](=O)[O-])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 C10H10N4O6S MW 314.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H10N4O6S/c1-21(19,20)7-5-8(13(15)16)10(12-4-2-3-11)9(6-7)14(17)18/h5-6,12H,2,4H2,1H3InChIKey
GEJYVEZWIHVFAX-UHFFFAOYSA-NSynonyms
3((4(methylsulfonyl)26dinitrophenyl)amino)propanenitrile
3(4methylsulfonyl26dinitroanilino)propanenitrile
CS(=O)(=O)C1=CC(=C(C(=C1)(N+)(=O)(O))NCCC#N)(N+)(=O)(O)
InChI=1SC10H10N4O6Sc121(1920)758(13(15)16)10(1242311)9(67)14(17)18h5612H24H21H3
MFCD00742794
N#CCCNc1c(cc(cc1(N+)(=O)(O))S(=O)(=O)C)(N+)(=O)(O)
ZINC000039389329
ZINC39389329
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