Vitas-M small molecule compound
ethyl [(3-benzyl-6-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK058229
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(CC3)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 C22H24N2O3S2 MW 428.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3S2/c1-3-27-18(25)13-28-22-23-20-19(16-11-14(2)9-10-17(16)29-20)21(26)24(22)12-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3InChIKey
FBLQDAZYPRQRBB-UHFFFAOYSA-NSynonyms
327168-58-1327168581
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCC(C3)C)C(=O)N1CC4=CC=CC=C4
CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(CC3)C
ethyl((3benzyl6methyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3benzyl6methyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((3benzyl6methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
InChI=1SC22H24N2O3S2c132718(25)132822232019(161114(2)91017(16)2920)21(26)24(22)12157546815h4814H3913H212H3
MFCD01557787
STK058229
ZINC000000688746
ZINC000008456776
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