Vitas-M small molecule compound
2-{[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK886202
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)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 C28H26F3N3O5S MW 573.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26F3N3O5S/c1-37-21-11-15(12-22(38-2)26(21)39-3)24-16(13-32)27(34-19-9-6-10-20(35)25(19)24)40-14-23(36)33-18-8-5-4-7-17(18)28(29,30)31/h4-5,7-8,11-12,24,34H,6,9-10,14H2,1-3H3,(H,33,36)InChIKey
DHVBPUHCDBMIGV-UHFFFAOYSA-NSynonyms
2((3cyano5oxo4(345trimethoxyphenyl)145678hexahydroquinolin2yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
2((3cyano5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC=C4C(F)(F)F)C#N
InChI=1SC28H26F3N3O5Sc137211115(1222(382)26(21)393)2416(1332)27(3419961020(35)25(19)24)401423(36)3318854717(18)28(2930)31h457811122434H691014H213H3(H3336)
MFCD10086674
ZINC000102808232
ZINC000102808235
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