Vitas-M small molecule compound
(2Z)-3-[(4-bromo-2-fluorophenyl)amino]-2-[(4-methoxyphenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK716000
SMILES N#C/C(=C/Nc1ccc(cc1F)Br)/S(=O)(=O)c1ccc(cc1)OC
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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 C16H12BrFN2O3S MW 411.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrFN2O3S/c1-23-12-3-5-13(6-4-12)24(21,22)14(9-19)10-20-16-7-2-11(17)8-15(16)18/h2-8,10,20H,1H3/b14-10-InChIKey
BQDWZYMYIJCHQJ-UVTDQMKNSA-NSynonyms
(2Z)3((4bromo2fluorophenyl)amino)2((4methoxyphenyl)sulfonyl)prop2enenitrile
(E)3((4bromo2fluorophenyl)amino)2((4methoxyphenyl)sulfonyl)acrylonitrile
(Z)3(4bromo2fluoroanilino)2(4methoxyphenyl)sulfonylprop2enenitrile
COC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=C(C=C(C=C2)Br)F)C#N
InChI=1SC16H12BrFN2O3Sc123123513(6412)24(2122)14(919)1020167211(17)815(16)18h281020H1H3b1410
MFCD08166896
N#CC(=CNc1ccc(cc1F)Br)S(=O)(=O)c1ccc(cc1)OC
ZINC000102673301
ZINC102673301
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