Vitas-M small molecule compound
2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Catalog ID
STK886393
SMILES N#CC1=C(SCC(=O)Nc2nccs2)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2
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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 C22H20N4O4S2 MW 468.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S2/c1-30-17-9-12(5-6-15(17)27)19-13(10-23)21(25-14-3-2-4-16(28)20(14)19)32-11-18(29)26-22-24-7-8-31-22/h5-9,19,25,27H,2-4,11H2,1H3,(H,24,26,29)InChIKey
CTWBMAHKNDAPQX-UHFFFAOYSA-NSynonyms
799791-81-42((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(13thiazol2yl)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)N(thiazol2yl)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(13thiazol2yl)acetamide
799791814
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=NC=CS4)C#N)O
InChI=1SC22H20N4O4S2c13017912(5615(17)27)1913(1023)21(251432416(28)20(14)19)321118(29)262224783122h59192527H2411H21H3(H242629)
MFCD03676419
ZINC000002216000
ZINC000002216003
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