Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK886696
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)Nc1c(C)cccc1C
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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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-15(2)18-9-11-19(12-10-18)22-20(13-28)26(30-25(32)23(22)27(33)34-5)35-14-21(31)29-24-16(3)7-6-8-17(24)4/h6-12,15,22-23H,14H2,1-5H3,(H,29,31)(H,30,32)InChIKey
CMUUEDKHKFIYNA-UHFFFAOYSA-NSynonyms
370845-80-0370845800
CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)C(C)C)C#N
InChI=1SC27H29N3O4Sc115(2)1891119(121018)2220(1328)26(3025(32)23(22)27(33)345)351421(31)292416(3)76817(24)4h612152223H14H215H3(H2931)(H3032)
methyl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)sulfanyl)2oxo4(4(propan2yl)phenyl)1234tetrahydropyridine3carboxylate
methyl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)thio)4(4isopropylphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL5CYANO6(2(26DIMETHYLANILINO)2OXOETHYL)SULFANYL2OXO4(4PROPAN2YLPHENYL)34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD02999226
ZINC000002309590
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