Vitas-M small molecule compound
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK541686
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)NCc1ccccc1
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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 C24H23N3O4S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O4S/c1-15-8-10-17(11-9-15)20-18(12-25)23(27-22(29)21(20)24(30)31-2)32-14-19(28)26-13-16-6-4-3-5-7-16/h3-11,20-21H,13-14H2,1-2H3,(H,26,28)(H,27,29)InChIKey
LDEWPFVSVCWRCG-UHFFFAOYSA-NSynonyms
488709-87-1488709871
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)C(=O)OC
InChI=1SC24H23N3O4Sc11581017(11915)2018(1225)23(2722(29)21(20)24(30)312)321419(28)2613166435716h3112021H1314H212H3(H2628)(H2729)
methyl6((2(benzylamino)2oxoethyl)sulfanyl)5cyano4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6((2(benzylamino)2oxoethyl)thio)5cyano2oxo4(ptolyl)1234tetrahydropyridine3carboxylate
METHYL6(2(BENZYLAMINO)2OXOETHYL)SULFANYL5CYANO4(4METHYLPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03290863
ZINC000009334910
ZINC000009353664
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