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-(naphthalen-1-yl)acetamide
Catalog ID
STK885572
SMILES N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)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 C29H25N3O4S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4S/c1-36-25-14-18(12-13-23(25)33)27-20(15-30)29(32-22-10-5-11-24(34)28(22)27)37-16-26(35)31-21-9-4-7-17-6-2-3-8-19(17)21/h2-4,6-9,12-14,27,32-33H,5,10-11,16H2,1H3,(H,31,35)InChIKey
KATXMINTSTVMRP-UHFFFAOYSA-NSynonyms
488110-39-02((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(naphthalen1yl)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)N(naphthalen1yl)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)Nnaphthalen1ylacetamide
488110390
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC5=CC=CC=C54)C#N)O
InChI=1SC29H25N3O4Sc136251418(121323(25)33)2720(1530)29(32221051124(34)28(22)27)371626(35)312194717623819(17)21h24691214273233H5101116H21H3(H3135)
MFCD03289119
ZINC000100836738
ZINC000100836740
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