Vitas-M small molecule compound
2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Catalog ID
STK843040
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)C(C)C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C
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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 C27H29N3O2S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S2/c1-16(2)17-7-9-18(10-8-17)29-23(32)15-34-26-19(14-28)24(22-6-5-11-33-22)25-20(30-26)12-27(3,4)13-21(25)31/h5-11,16,24,30H,12-13,15H2,1-4H3,(H,29,32)InChIKey
WEPDDVLQCQVJMX-UHFFFAOYSA-NSynonyms
683793-87-52((3cyano77dimethyl5oxo4(thiophen2yl)145678hexahydroquinolin2yl)sulfanyl)N(4(propan2yl)phenyl)acetamide
2((3cyano77dimethyl5oxo4(thiophen2yl)145678hexahydroquinolin2yl)thio)N(4isopropylphenyl)acetamide
2((3cyano77dimethyl5oxo4thiophen2yl1468tetrahydroquinolin2yl)sulfanyl)N(4propan2ylphenyl)acetamide
683793875
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=CS4)C#N
InChI=1SC27H29N3O2S2c116(2)177918(10817)2923(32)15342619(1428)24(2265113322)2520(3026)1227(34)1321(25)31h511162430H121315H214H3(H2932)
MFCD03665992
ZINC000085846234
ZINC000085846242
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