Vitas-M small molecule compound
ethyl 5-methyl-5-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-oxo-3-propyltetrahydrofuran-3-carboxylate (non-preferred name)
Catalog ID
STK984233
SMILES CCCC1(CC(OC1=O)(C)C(=O)CSc1nc(C)cc(=O)[nH]1)C(=O)OCC
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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 C18H24N2O6S MW 396.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N2O6S/c1-5-7-18(14(23)25-6-2)10-17(4,26-15(18)24)12(21)9-27-16-19-11(3)8-13(22)20-16/h8H,5-7,9-10H2,1-4H3,(H,19,20,22)InChIKey
APOCNGHGMDHRTP-UHFFFAOYSA-NSynonyms
CCCC1(CC(OC1=O)(C)C(=O)CSc1nc(C)cc(=O)(nH)1)C(=O)OCC
CCCC1(CC(OC1=O)(C)C(=O)CSC2=NC(=O)C=C(N2)C)C(=O)OCC
ethyl5methyl5(((4methyl6oxo16dihydropyrimidin2yl)sulfanyl)acetyl)2oxo3propyltetrahydrofuran3carboxylate(nonpreferredname)
ETHYL5METHYL5(2((6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)2OXO3PROPYLOXOLANE3CARBOXYLATE
InChI=1SC18H24N2O6Sc15718(14(23)2562)1017(42615(18)24)12(21)927161911(3)813(22)2016h8H57910H214H3(H192022)
MFCD00362940
ZINC000006162539
ZINC000006162542
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