Vitas-M small molecule compound
methyl [(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK722755
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC(C3)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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c1-12-8-9-14-15(10-12)27-18-17(14)19(24)22(13-6-4-3-5-7-13)20(21-18)26-11-16(23)25-2/h3-7,12H,8-11H2,1-2H3InChIKey
RIBLDIGTWMESTE-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4=CC=CC=C4
InChI=1SC20H20N2O3S2c112891415(1012)271817(14)19(24)22(136435713)20(2118)261116(23)252h3712H811H212H3
methyl((7methyl4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((7methyl4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
methyl2((7methyl4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
MFCD02239829
ZINC000000985947
ZINC000000985948
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