Vitas-M small molecule compound

methyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

Catalog ID
STK886687
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(c(c1)Cl)Cl

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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 C22H16Cl3N3O4S MW 524.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl3N3O4S/c1-32-22(31)19-18(12-4-2-3-5-14(12)23)13(9-26)21(28-20(19)30)33-10-17(29)27-11-6-7-15(24)16(25)8-11/h2-8,18-19H,10H2,1H3,(H,27,29)(H,28,30)
InChIKey
HDURRHHENTWNBL-UHFFFAOYSA-N
Synonyms
383894-69-7
383894697
COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C#N)C3=CC=CC=C3Cl
InChI=1SC22H16Cl3N3O4Sc13222(31)1918(12423514(12)23)13(926)21(2820(19)30)331017(29)27116715(24)16(25)811h281819H10H21H3(H2729)(H2830)
methyl4(2chlorophenyl)5cyano6((2((34dichlorophenyl)amino)2oxoethyl)sulfanyl)2oxo1234tetrahydropyridine3carboxylate
methyl4(2chlorophenyl)5cyano6((2((34dichlorophenyl)amino)2oxoethyl)thio)2oxo1234tetrahydropyridine3carboxylate
METHYL4(2CHLOROPHENYL)5CYANO6(2(34DICHLOROANILINO)2OXOETHYL)SULFANYL2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03000683
ZINC000002312156

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Available files

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