Vitas-M small molecule compound
(2E)-3-(5-nitrofuran-2-yl)-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK445241
SMILES N#C/C(=C\c1ccc(o1)[N+](=O)[O-])/S(=O)(=O)c1ccccc1
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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 C13H8N2O5S MW 304.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N2O5S/c14-9-12(8-10-6-7-13(20-10)15(16)17)21(18,19)11-4-2-1-3-5-11/h1-8H/b12-8+InChIKey
BVFXFLZKFVRRAJ-XYOKQWHBSA-NSynonyms
(2E)3(5NITRO(2FURYL))2(PHENYLSULFONYL)PROP2ENENITRILE
(2E)3(5nitrofuran2yl)2(phenylsulfonyl)prop2enenitrile
(E)2(benzenesulfonyl)3(5nitrofuran2yl)prop2enenitrile
C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)(N+)(=O)(O))C#N
InChI=1SC13H8N2O5Sc14912(8106713(2010)15(16)17)21(1819)114213511h18Hb128+
MFCD04057833
N#CC(=Cc1ccc(o1)(N+)(=O)(O))S(=O)(=O)c1ccccc1
ZINC000017031027
ZINC17031027
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