Vitas-M small molecule compound
ethyl 2-[({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Catalog ID
STL168397
SMILES CCOC(=O)c1c(NC(=O)CSc2nc(c3cccc(c3)OC)c(c(=O)[nH]2)C#N)sc2c1CCN(C2)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 C25H25N5O5S2 MW 539.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O5S2/c1-4-35-24(33)20-16-8-9-30(2)12-18(16)37-23(20)27-19(31)13-36-25-28-21(17(11-26)22(32)29-25)14-6-5-7-15(10-14)34-3/h5-7,10H,4,8-9,12-13H2,1-3H3,(H,27,31)(H,28,29,32)InChIKey
XUKVZKRDCRKTOS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CSC3=NC(=O)C(=C(N3)C4=CC(=CC=C4)OC)C#N
CCOC(=O)c1c(NC(=O)CSc2nc(c3cccc(c3)OC)c(c(=O)(nH)2)C#N)sc2c1CCN(C2)C
ethyl2((((5cyano4(3methoxyphenyl)6oxo16dihydropyrimidin2yl)sulfanyl)acetyl)amino)6methyl4567tetrahydrothieno(23c)pyridine3carboxylate
ETHYL2((2((5CYANO6(3METHOXYPHENYL)4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)6METHYL57DIHYDRO4HTHIENO(23C)PYRIDINE3CARBOXYLATE
InChI=1SC25H25N5O5S2c143524(33)20168930(2)1218(16)3723(20)2719(31)1336252821(17(1126)22(32)2925)1465715(1014)343h5710H4891213H213H3(H2731)(H282932)
MFCD02056320
ZINC000059735660
ZINC59735660
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