Vitas-M small molecule compound
1-(4-bromophenyl)-5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Catalog ID
STL328721
SMILES COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)c1ccc(cc1)Br
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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 C20H15BrN2O7 MW 475.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O7/c1-28-12-8-7-11-13(16(12)29-2)19(26)30-15(11)14-17(24)22-20(27)23(18(14)25)10-5-3-9(21)4-6-10/h3-8,15,25H,1-2H3,(H,22,24,27)InChIKey
FUKBHSSVWGUXPQ-UHFFFAOYSA-NSynonyms
1(4bromophenyl)5(45dimethoxy3oxo13dihydro2benzofuran1yl)6hydroxypyrimidine24(1H3H)dione
1(4bromophenyl)5(45dimethoxy3oxo13dihydroisobenzofuran1yl)6hydroxypyrimidine24(1H3H)dione
1(4BROMOPHENYL)5(45DIMETHOXY3OXO1H2BENZOFURAN1YL)6HYDROXYPYRIMIDINE24DIONE
COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)Br)O)OC
COc1c(OC)ccc2c1C(=O)OC2c1c(=O)(nH)c(=O)n(c1O)c1ccc(cc1)Br
InChI=1SC20H15BrN2O7c12812871113(16(12)292)19(26)3015(11)1417(24)2220(27)23(18(14)25)10539(21)4610h381525H12H3(H222427)
MFCD02056695
ZINC000002294202
ZINC000002294203
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