Vitas-M small molecule compound
methyl 6-[(2-chlorobenzyl)sulfanyl]-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK543402
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCc1ccccc1Cl
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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 C22H19ClN2O3S MW 426.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O3S/c1-13-7-9-14(10-8-13)18-16(11-24)21(25-20(26)19(18)22(27)28-2)29-12-15-5-3-4-6-17(15)23/h3-10,18-19H,12H2,1-2H3,(H,25,26)InChIKey
BRDXJNLHRPKUQC-UHFFFAOYSA-NSynonyms
500277-49-6500277496
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3Cl)C(=O)OC
InChI=1SC22H19ClN2O3Sc1137914(10813)1816(1124)21(2520(26)19(18)22(27)282)291215534617(15)23h3101819H12H212H3(H2526)
methyl6((2chlorobenzyl)sulfanyl)5cyano4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6((2chlorobenzyl)thio)5cyano2oxo4(ptolyl)1234tetrahydropyridine3carboxylate
METHYL6((2CHLOROPHENYL)METHYLSULFANYL)5CYANO4(4METHYLPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03303336
ZINC000009375006
ZINC000016957005
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