Vitas-M small molecule compound
2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STK886640
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC2=C1C(=O)CCC2)C#N
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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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-5-35-24-12-7-6-9-20(24)26-21(15-30)29(31-22-10-8-11-23(33)27(22)26)36-16-25(34)32-28-18(3)13-17(2)14-19(28)4/h6-7,9,12-14,26,31H,5,8,10-11,16H2,1-4H3,(H,32,34)InChIKey
XRCOYDXNKCAAPF-UHFFFAOYSA-NSynonyms
384356-55-22((3cyano4(2ethoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((3cyano4(2ethoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)Nmesitylacetamide
2((3cyano4(2ethoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(246trimethylphenyl)acetamide
384356552
CCOC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=C(C=C(C=C4C)C)C)C#N
InChI=1SC29H31N3O3Sc1535241276920(24)2621(1530)29(31221081123(33)27(22)26)361625(34)322818(3)1317(2)1419(28)4h67912142631H58101116H214H3(H3234)
MFCD03000899
ZINC000002312444
ZINC000002312445
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