Vitas-M small molecule compound
ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate
Catalog ID
STK020457
SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(c2cccc(c2)OC)c(c(=O)[nH]1)C#N
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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 C24H25N5O6S MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O6S/c1-3-35-19(31)10-5-4-9-18(30)21-17(26-23(33)27-21)13-36-24-28-20(16(12-25)22(32)29-24)14-7-6-8-15(11-14)34-2/h6-8,11H,3-5,9-10,13H2,1-2H3,(H2,26,27,33)(H,28,29,32)InChIKey
ARJBEMTUBHHCOY-UHFFFAOYSA-NSynonyms
440109-19-3440109193
CCOC(=O)CCCCC(=O)c1(nH)c(=O)(nH)c1CSc1nc(c2cccc(c2)OC)c(c(=O)(nH)1)C#N
CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)OC)C#N
ETHYL6(5(((5CYANO4(3METHOXYPHENYL)6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)METHYL)2OXO23DIHYDRO1HIMIDAZOL4YL)6OXOHEXANOATE
ETHYL6(5((5CYANO6(3METHOXYPHENYL)4OXO1HPYRIMIDIN2YL)SULFANYLMETHYL)2OXO13DIHYDROIMIDAZOL4YL)6OXOHEXANOATE
InChI=1SC24H25N5O6Sc133519(31)1054918(30)2117(2623(33)2721)1336242820(16(1225)22(32)2924)1476815(1114)342h6811H3591013H212H3(H2262733)(H282932)
MFCD02056344
STK020457
ZINC000027570893
ZINC27570893
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.