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-cyclohexylacetamide
Catalog ID
STK826387
SMILES N#CC1=C(SCC(=O)NC2CCCCC2)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 C25H29N3O4S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4S/c1-32-21-12-15(10-11-19(21)29)23-17(13-26)25(28-18-8-5-9-20(30)24(18)23)33-14-22(31)27-16-6-3-2-4-7-16/h10-12,16,23,28-29H,2-9,14H2,1H3,(H,27,31)InChIKey
IXSRNCUMZJRXET-UHFFFAOYSA-NSynonyms
693255-68-42((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)Ncyclohexylacetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)Ncyclohexylacetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)Ncyclohexylacetamide
693255684
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4CCCCC4)C#N)O
InChI=1SC25H29N3O4Sc132211215(101119(21)29)2317(1326)25(281885920(30)24(18)23)331422(31)27166324716h101216232829H2914H21H3(H2731)
MFCD03668686
ZINC000001144565
ZINC000001144568
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