Vitas-M small molecule compound
(4S,5R)-3-cyano-4-(3-methoxyphenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Catalog ID
STK526344
SMILES N#CC1=C([O-])NC(=O)[C@@H]([C@H]1c1cccc(c1)OC)[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 C18H15N3O3 MW 321.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O3/c1-24-13-7-5-6-12(10-13)15-14(11-19)17(22)20-18(23)16(15)21-8-3-2-4-9-21/h2-10,15-16H,1H3,(H-,20,22,23)/t15-,16+/m0/s1InChIKey
MRTBJSPUUJDZJT-JKSUJKDBSA-NSynonyms
(3R4S)5cyano4(3methoxyphenyl)2oxo1234tetrahydro(13bipyridin)1ium6olate
(3R4S)5cyano4(3methoxyphenyl)2oxo3pyridin1ium1yl34dihydro1Hpyridin6olate
(4S5R)3cyano4(3methoxyphenyl)6oxo5(pyridinium1yl)1456tetrahydropyridin2olate
COC1=CC=CC(=C1)C2C(C(=O)NC(=C2C#N)(O))(N+)3=CC=CC=C3
InChI=1SC18H15N3O3c1241375612(1013)1514(1119)17(22)2018(23)16(15)218324921h2101516H1H3(H202223)t1516+m0s1
MFCD18241558
N#CC1=C((O))NC(=O)(C@@H)((C@H)1c1cccc(c1)OC)(n+)1ccccc1
ZINC000004762963
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