Vitas-M small molecule compound
3-cyano-4-(4-fluorophenyl)-6-hydroxy-5-(isoquinolinium-2-yl)-6-phenyl-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STK695753
SMILES N#CC1=C([S-])NC(C(C1c1ccc(cc1)F)[n+]1ccc2c(c1)cccc2)(O)c1ccccc1
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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 C27H20FN3OS MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN3OS/c28-22-12-10-19(11-13-22)24-23(16-29)26(33)30-27(32,21-8-2-1-3-9-21)25(24)31-15-14-18-6-4-5-7-20(18)17-31/h1-15,17,24-25,30,32HInChIKey
OEIUCEBIXYUCLP-UHFFFAOYSA-NSynonyms
3cyano4(4fluorophenyl)6hydroxy5(isoquinolinium2yl)6phenyl1456tetrahydropyridine2thiolate
5CYANO4(4FLUOROPHENYL)2HYDROXY3ISOQUINOLIN2IUM2YL2PHENYL34DIHYDRO1HPYRIDINE6THIOLATE
C1=CC=C(C=C1)C2(C(C(C(=C(N2)(S))C#N)C3=CC=C(C=C3)F)(N+)4=CC5=CC=CC=C5C=C4)O
InChI=1SC27H20FN3OSc2822121019(111322)2423(1629)26(33)3027(32218213921)25(24)31151418645720(18)1731h1151724253032H
MFCD01103200
N#CC1=C((S))NC(C(C1c1ccc(cc1)F)(n+)1ccc2c(c1)cccc2)(O)c1ccccc1
ZINC000021946852
ZINC000252448789
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