Vitas-M small molecule compound
(2Z)-azepan-2-ylidene[(2-fluoro-5-methylphenyl)sulfonyl]ethanenitrile
Catalog ID
STL133624
SMILES N#C/C(=C/1\CCCCCN1)/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 C15H17FN2O2S MW 308.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17FN2O2S/c1-11-6-7-12(16)14(9-11)21(19,20)15(10-17)13-5-3-2-4-8-18-13/h6-7,9,18H,2-5,8H2,1H3/b15-13-InChIKey
AELOJHUSAIPRGT-SQFISAMPSA-NSynonyms
(2Z)2(azepan2ylidene)2(2fluoro5methylphenyl)sulfonylacetonitrile
(2Z)azepan2ylidene((2fluoro5methylphenyl)sulfonyl)ethanenitrile
CC1=CC(=C(C=C1)F)S(=O)(=O)C(=C2CCCCCN2)C#N
InChI=1SC15H17FN2O2Sc1116712(16)14(911)21(1920)15(1017)13532481813h67918H258H21H3b1513
MFCD20753777
N#CC(=C1CCCCCN1)S(=O)(=O)c1cc(C)ccc1F
ZINC000067340897
ZINC67340897
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