Vitas-M small molecule compound

ethyl 4,5-dimethyl-2-{[(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}thiophene-3-carboxylate

Catalog ID
STK951578
SMILES CCOC(=O)c1c(NC(=O)CC2Nc3ccccc3NC2=O)sc(c1C)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 C19H21N3O4S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4S/c1-4-26-19(25)16-10(2)11(3)27-18(16)22-15(23)9-14-17(24)21-13-8-6-5-7-12(13)20-14/h5-8,14,20H,4,9H2,1-3H3,(H,21,24)(H,22,23)
InChIKey
XOOLLJVCTFBEMT-UHFFFAOYSA-N
Synonyms
342615-39-8
2((2(3KETO24DIHYDRO1HQUINOXALIN2YL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLICACIDETHYLESTER
342615398
45DIMETHYL2((1OXO2(3OXO24DIHYDRO1HQUINOXALIN2YL)ETHYL)AMINO)3THIOPHENECARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3N2
ethyl45dimethyl2(((3oxo1234tetrahydroquinoxalin2yl)acetyl)amino)thiophene3carboxylate
ETHYL45DIMETHYL2((2(3OXO24DIHYDRO1HQUINOXALIN2YL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL45DIMETHYL2(2(3OXIDANYLIDENE24DIHYDRO1HQUINOXALIN2YL)ETHANOYLAMINO)THIOPHENE3CARBOXYLATE
ETHYL45DIMETHYL2(2(3OXO(124TRIHYDROQUINOXALIN2YL))ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC19H21N3O4Sc142619(25)1610(2)11(3)2718(16)2215(23)91417(24)2113865712(13)2014h581420H49H213H3(H2124)(H2223)
MFCD01848141
ZINC000000635233
ZINC000000635236

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.