Vitas-M small molecule compound
(5R)-4-(3-bromo-4-fluorophenyl)-3-cyano-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STK668858
SMILES N#CC1=C([S-])NC(=O)[C@@H](C1c1ccc(c(c1)Br)F)[n+]1ccccc1
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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 C17H11BrFN3OS MW 404.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11BrFN3OS/c18-12-8-10(4-5-13(12)19)14-11(9-20)17(24)21-16(23)15(14)22-6-2-1-3-7-22/h1-8,14-15H,(H-,21,23,24)/t14?,15-/m1/s1InChIKey
NTGCZZBUBZTSQP-YSSOQSIOSA-NSynonyms
(3R)4(3BROMO4FLUOROPHENYL)5CYANO3PYRIDIN1IUM1YL6SULFANYL34DIHYDROPYRIDIN2OLATE
(5R)4(3bromo4fluorophenyl)3cyano6oxo5(pyridinium1yl)1456tetrahydropyridine2thiolate
C1=CC=(N+)(C=C1)C2C(C(=C(N=C2(O))S)C#N)C3=CC(=C(C=C3)F)Br
InChI=1SC17H11BrFN3OSc1812810(4513(12)19)1411(920)17(24)2116(23)15(14)226213722h181415H(H212324)t14?15m1s1
MFCD18246831
N#CC1=C((S))NC(=O)(C@@H)(C1c1ccc(c(c1)Br)F)(n+)1ccccc1
ZINC000003659031
ZINC000003659032
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