Vitas-M small molecule compound

methyl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate

Catalog ID
STK596241
SMILES COC(=O)C1C(=NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C)O

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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 C23H19Cl2N3O4S MW 504.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Cl2N3O4S/c1-12-3-8-15(9-17(12)25)27-18(29)11-33-22-16(10-26)19(13-4-6-14(24)7-5-13)20(21(30)28-22)23(31)32-2/h3-9,19-20H,11H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
LJVAHKNCJAPSJU-UHFFFAOYSA-N
Synonyms
797799-60-1
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)Cl)C#N)Cl
InChI=1SC23H19Cl2N3O4Sc1123815(917(12)25)2718(29)11332216(1026)19(134614(24)7513)20(21(30)2822)23(31)322h391920H11H212H3(H2729)(H2830)
methyl6((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2hydroxy34dihydropyridine3carboxylate
METHYL6(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4(4CHLOROPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD07201438
ZINC000009110371
ZINC000009356698

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Available files

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