Vitas-M small molecule compound
methyl 6-({2-[(3-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK886697
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)Nc1cccc(c1)C(=O)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 C27H27N3O5S MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5S/c1-15(2)17-8-10-18(11-9-17)23-21(13-28)26(30-25(33)24(23)27(34)35-4)36-14-22(32)29-20-7-5-6-19(12-20)16(3)31/h5-12,15,23-24H,14H2,1-4H3,(H,29,32)(H,30,33)InChIKey
ISBHNXCVJCQEBY-UHFFFAOYSA-NSynonyms
384358-28-5384358285
CC(C)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC(=C3)C(=O)C)C(=O)OC
InChI=1SC27H27N3O5Sc115(2)1781018(11917)2321(1328)26(3025(33)24(23)27(34)354)361422(32)292075619(1220)16(3)31h512152324H14H214H3(H2932)(H3033)
methyl6((2((3acetylphenyl)amino)2oxoethyl)sulfanyl)5cyano2oxo4(4(propan2yl)phenyl)1234tetrahydropyridine3carboxylate
methyl6((2((3acetylphenyl)amino)2oxoethyl)thio)5cyano4(4isopropylphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL6(2(3ACETYLANILINO)2OXOETHYL)SULFANYL5CYANO2OXO4(4PROPAN2YLPHENYL)34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03001021
ZINC000002312594
ZINC000009043178
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