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}acetamide
Catalog ID
STK885960
SMILES N#CC1=C(SCC(=O)N)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 C19H19N3O4S MW 385.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O4S/c1-26-15-7-10(5-6-13(15)23)17-11(8-20)19(27-9-16(21)25)22-12-3-2-4-14(24)18(12)17/h5-7,17,22-23H,2-4,9H2,1H3,(H2,21,25)InChIKey
AGRZLLMHVRIAKP-UHFFFAOYSA-NSynonyms
487032-23-52((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetamide
487032235
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)N)C#N)O
InChI=1SC19H19N3O4Sc12615710(5613(15)23)1711(820)19(27916(21)25)221232414(24)18(12)17h57172223H249H21H3(H22125)
MFCD03286991
ZINC000002321761
ZINC000002321762
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