Vitas-M small molecule compound
5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK530382
SMILES COc1c(OC)ccc2c1C(=O)OC2C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
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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 C26H20N2O6S MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O6S/c1-32-18-14-13-17-19(22(18)33-2)25(31)34-21(17)20-23(29)27(15-9-5-3-6-10-15)26(35)28(24(20)30)16-11-7-4-8-12-16/h3-14,20-21H,1-2H3InChIKey
IRXAHOKKACJEFO-UHFFFAOYSA-NSynonyms
5(45dimethoxy3oxo13dihydro2benzofuran1yl)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
5(45dimethoxy3oxo13dihydroisobenzofuran1yl)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
5(45DIMETHOXY3OXO1H2BENZOFURAN1YL)13DIPHENYL2SULFANYLIDENE13DIAZINANE46DIONE
COC1=C(C2=C(C=C1)C(OC2=O)C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)OC
InChI=1SC26H20N2O6Sc1321814131719(22(18)332)25(31)3421(17)2023(29)27(1595361015)26(35)28(24(20)30)16117481216h3142021H12H3
MFCD01880959
ZINC000002295003
ZINC000002295004
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