Vitas-M small molecule compound
2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Catalog ID
STK826233
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C)NC2=C(C1c1cccs1)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 C23H21N3O2S2 MW 435.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O2S2/c1-14-6-2-3-7-16(14)25-20(28)13-30-23-15(12-24)21(19-10-5-11-29-19)22-17(26-23)8-4-9-18(22)27/h2-3,5-7,10-11,21,26H,4,8-9,13H2,1H3,(H,25,28)InChIKey
ISSUQFZRWZUKRF-UHFFFAOYSA-NSynonyms
2((3cyano5oxo4(thiophen2yl)145678hexahydroquinolin2yl)sulfanyl)N(2methylphenyl)acetamide
2((3cyano5oxo4thiophen2yl4678tetrahydro1Hquinolin2yl)sulfanyl)N(2methylphenyl)acetamide
CC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CS4)C#N
InChI=1SC23H21N3O2S2c114623716(14)2520(28)13302315(1224)21(19105112919)2217(2623)84918(22)27h235710112126H48913H21H3(H2528)
MFCD04208659
ZINC000001177429
ZINC000001177430
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