Vitas-M small molecule compound
(2Z)-[(2-fluoro-5-methylphenyl)sulfonyl](pyrrolidin-2-ylidene)ethanenitrile
Catalog ID
STL133608
SMILES N#C/C(=C/1\CCCN1)/S(=O)(=O)c1cc(C)ccc1F
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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 C13H13FN2O2S MW 280.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13FN2O2S/c1-9-4-5-10(14)12(7-9)19(17,18)13(8-15)11-3-2-6-16-11/h4-5,7,16H,2-3,6H2,1H3/b13-11-InChIKey
LERMMXOGBLROSF-QBFSEMIESA-NSynonyms
(2Z)((2fluoro5methylphenyl)sulfonyl)(pyrrolidin2ylidene)ethanenitrile
(2Z)2(2fluoro5methylphenyl)sulfonyl2pyrrolidin2ylideneacetonitrile
CC1=CC(=C(C=C1)F)S(=O)(=O)C(=C2CCCN2)C#N
InChI=1SC13H13FN2O2Sc194510(14)12(79)19(1718)13(815)113261611h45716H236H21H3b1311
MFCD20753761
N#CC(=C1CCCN1)S(=O)(=O)c1cc(C)ccc1F
ZINC000067340860
ZINC67340860
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