Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK764702
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)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 C25H24ClN3O2S2 MW 498.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O2S2/c1-14-16(26)6-4-7-17(14)28-21(31)13-33-24-15(12-27)22(20-8-5-9-32-20)23-18(29-24)10-25(2,3)11-19(23)30/h4-9,22,29H,10-11,13H2,1-3H3,(H,28,31)InChIKey
TZSUYVSIVKYUOJ-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=CS4)C#N
InChI=1SC25H24ClN3O2S2c11416(26)64717(14)2821(31)13332415(1227)22(208593220)2318(2924)1025(23)1119(23)30h492229H101113H213H3(H2831)
MFCD02236892
N(3chloro2methylphenyl)2((3cyano77dimethyl5oxo4(thiophen2yl)145678hexahydroquinolin2yl)sulfanyl)acetamide
N(3chloro2methylphenyl)2((3cyano77dimethyl5oxo4(thiophen2yl)145678hexahydroquinolin2yl)thio)acetamide
N(3chloro2methylphenyl)2((3cyano77dimethyl5oxo4thiophen2yl1468tetrahydroquinolin2yl)sulfanyl)acetamide
ZINC000013065790
ZINC000013284115
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