Vitas-M small molecule compound
(2E)-2-[(2,5-dimethylphenyl)sulfonyl]-3-ethoxyprop-2-enenitrile
Catalog ID
STL124666
SMILES CCO/C=C(/S(=O)(=O)c1cc(C)ccc1C)\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 C13H15NO3S MW 265.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15NO3S/c1-4-17-9-12(8-14)18(15,16)13-7-10(2)5-6-11(13)3/h5-7,9H,4H2,1-3H3/b12-9+InChIKey
ATCHBCZGDGKFIG-FMIVXFBMSA-NSynonyms
(2E)2((25dimethylphenyl)sulfonyl)3ethoxyprop2enenitrile
(E)2(25dimethylphenyl)sulfonyl3ethoxyprop2enenitrile
CCOC=C(C#N)S(=O)(=O)C1=C(C=CC(=C1)C)C
CCOC=C(S(=O)(=O)c1cc(C)ccc1C)C#N
InChI=1SC13H15NO3Sc1417912(814)18(1516)13710(2)5611(13)3h579H4H213H3b129+
MFCD20735592
ZINC000067240339
ZINC67240339
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