Vitas-M small molecule compound
methyl 5-cyano-4-(4-methylphenyl)-2-oxo-6-({2-oxo-2-[(4-phenoxyphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK538177
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1)Oc1ccccc1
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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 C29H25N3O5S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5S/c1-18-8-10-19(11-9-18)25-23(16-30)28(32-27(34)26(25)29(35)36-2)38-17-24(33)31-20-12-14-22(15-13-20)37-21-6-4-3-5-7-21/h3-15,25-26H,17H2,1-2H3,(H,31,33)(H,32,34)InChIKey
ZTPBCXYEENWHJB-UHFFFAOYSA-NSynonyms
370849-13-1370849131
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)OC
InChI=1SC29H25N3O5Sc11881019(11918)2523(1630)28(3227(34)26(25)29(35)362)381724(33)3120121422(151320)37216435721h3152526H17H212H3(H3133)(H3234)
methyl5cyano2oxo6((2oxo2((4phenoxyphenyl)amino)ethyl)thio)4(ptolyl)1234tetrahydropyridine3carboxylate
methyl5cyano4(4methylphenyl)2oxo6((2oxo2((4phenoxyphenyl)amino)ethyl)sulfanyl)1234tetrahydropyridine3carboxylate
METHYL5CYANO4(4METHYLPHENYL)2OXO6(2OXO2(4PHENOXYANILINO)ETHYL)SULFANYL34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD02999752
ZINC000001171927
ZINC000001171930
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