Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STL415992
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1C)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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-14-5-8-17(9-6-14)21-18(12-26)24(28-23(30)22(21)25(31)32-4)33-13-20(29)27-19-10-7-15(2)11-16(19)3/h5-11,21-22H,13H2,1-4H3,(H,27,29)(H,28,30)InChIKey
ZQEPAAJEPDCEGR-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)C)C)C(=O)OC
InChI=1SC25H25N3O4Sc1145817(9614)2118(1226)24(2823(30)22(21)25(31)324)331320(29)271910715(2)1116(19)3h5112122H13H214H3(H2729)(H2830)
methyl5cyano6((2((24dimethylphenyl)amino)2oxoethyl)sulfanyl)4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl5cyano6(2(24dimethylanilino)2oxoethyl)sulfanyl4(4methylphenyl)2oxo34dihydro1Hpyridine3carboxylate
MFCD30706894
ZINC000220952942
ZINC000220953118
Check stock
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Check stock on Vitas-MAvailable files
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