Vitas-M small molecule compound
4-[(E)-2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl 4-fluorobenzenesulfonate
Catalog ID
STL418793
SMILES N#C/C(=C\c1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)F)/c1nc2c([nH]1)ccc(c2)C
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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 C24H18FN3O4S MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18FN3O4S/c1-15-3-9-20-21(11-15)28-24(27-20)17(14-26)12-16-4-10-22(23(13-16)31-2)32-33(29,30)19-7-5-18(25)6-8-19/h3-13H,1-2H3,(H,27,28)/b17-12+InChIKey
GSBNIXXYKVHEAU-SFQUDFHCSA-NSynonyms
(4((E)2CYANO2(6METHYL1HBENZIMIDAZOL2YL)ETHENYL)2METHOXYPHENYL)4FLUOROBENZENESULFONATE
4((1E)2CYANO2(5METHYLBENZIMIDAZOL2YL)VINYL)2METHOXYPHENYL4FLUOROBENZENESULFONATE
4((E)2cyano2(5methyl1Hbenzimidazol2yl)ethenyl)2methoxyphenyl4fluorobenzenesulfonate
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F)OC)C#N
InChI=1SC24H18FN3O4Sc115392021(1115)2824(2720)17(1426)121641022(23(1316)312)3233(2930)197518(25)6819h313H12H3(H2728)b1712+
MFCD01160997
N#CC(=Cc1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)F)c1nc2c((nH)1)ccc(c2)C
ZINC000009310341
ZINC09310341
ZINC9310341
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