Vitas-M small molecule compound
ethyl {[5-methyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK532104
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)C(C)CCC3
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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/c1-4-27-17(25)12-28-22-23-20-19(18-14(3)6-5-7-16(18)29-20)21(26)24(22)15-10-8-13(2)9-11-15/h8-11,14H,4-7,12H2,1-3H3InChIKey
IBEGUUOFCQVJMK-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3C)C(=O)N1C4=CC=C(C=C4)C
ethyl((5methyl3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((5methyl3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((5methyl4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
InChI=1SC22H24N2O3S2c142717(25)122822232019(1814(3)65716(18)2920)21(26)24(22)1510813(2)91115h81114H4712H213H3
MFCD02997263
ZINC000002306510
ZINC000002306511
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