Vitas-M small molecule compound
1-cyclohexyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Catalog ID
STK530227
SMILES COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)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 C20H22N2O7 MW 402.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O7/c1-27-12-9-8-11-13(16(12)28-2)19(25)29-15(11)14-17(23)21-20(26)22(18(14)24)10-6-4-3-5-7-10/h8-10,15,24H,3-7H2,1-2H3,(H,21,23,26)InChIKey
ANOXMQUCIJSCQD-UHFFFAOYSA-NSynonyms
1cyclohexyl5(45dimethoxy3oxo13dihydro2benzofuran1yl)6hydroxypyrimidine24(1H3H)dione
1cyclohexyl5(45dimethoxy3oxo13dihydroisobenzofuran1yl)6hydroxypyrimidine24(1H3H)dione
1CYCLOHEXYL5(45DIMETHOXY3OXO1H2BENZOFURAN1YL)6HYDROXYPYRIMIDINE24DIONE
COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=O)NC3=O)C4CCCCC4)O)OC
COc1c(OC)ccc2c1C(=O)OC2c1c(=O)(nH)c(=O)n(c1O)C1CCCCC1
InChI=1SC20H22N2O7c12712981113(16(12)282)19(25)2915(11)1417(23)2120(26)22(18(14)24)106435710h8101524H37H212H3(H212326)
MFCD02235008
ZINC000002293281
ZINC000002293282
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