Vitas-M small molecule compound
1,3-dimethyl-2,6-dioxo-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL036740
SMILES O=C1OC(c2c1cccc2)c1c([O-])n(C)c(=O)n(c1=O)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 C14H11N2O5 MW 287.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O5/c1-15-11(17)9(12(18)16(2)14(15)20)10-7-5-3-4-6-8(7)13(19)21-10/h3-6,10,17H,1-2H3/p-1InChIKey
QFEOCMKZWLINDE-UHFFFAOYSA-MSynonyms
13dimethyl26dioxo5(3oxo13dihydro2benzofuran1yl)1236tetrahydropyrimidin4olate
13DIMETHYL26DIOXO5(3OXO1H2BENZOFURAN1YL)PYRIMIDIN4OLATE
ammonium13dimethyl26dioxo5(3oxo13dihydroisobenzofuran1yl)1236tetrahydropyrimidin4olate
CN1C(=C(C(=O)N(C1=O)C)C2C3=CC=CC=C3C(=O)O2)(O)
InChI=1SC14H12N2O5c11511(17)9(12(18)16(2)14(15)20)10753468(7)13(19)2110h361017H12H3p1
O=C1OC(c2c1cccc2)c1c((O))n(C)c(=O)n(c1=O)C
O=C1OC(c2c1cccc2)c1c((O))n(C)c(=O)n(c1=O)C(NH4+)
ZINC000005071596
ZINC000005071598
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