Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK538259
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)Nc1ccc(c(c1)C)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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-14-9-10-16(11-15(14)2)27-20(29)13-34-24-18(12-26)21(17-7-5-6-8-19(17)32-3)22(23(30)28-24)25(31)33-4/h5-11,21-22H,13H2,1-4H3,(H,27,29)(H,28,30)InChIKey
VLGCNIUJRVEJBD-UHFFFAOYSA-NSynonyms
369394-03-6369394036
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3OC)C#N)C
InChI=1SC25H25N3O5Sc11491016(1115(14)2)2720(29)13342418(1226)21(17756819(17)323)22(23(30)2824)25(31)334h5112122H13H214H3(H2729)(H2830)
methyl5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)4(2methoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl5cyano6((2((34dimethylphenyl)amino)2oxoethyl)thio)4(2methoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL5CYANO6(2(34DIMETHYLANILINO)2OXOETHYL)SULFANYL4(2METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03000151
ZINC000009110756
ZINC000016975860
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