Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-6-methyl-5-nitro-3,4-dihydropyrimidin-2(1H)-one
Catalog ID
STL327196
SMILES O=C1NC(=C(C(N1)c1ccc2c(c1)OCO2)[N+](=O)[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 C12H11N3O5 MW 277.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O5/c1-6-11(15(17)18)10(14-12(16)13-6)7-2-3-8-9(4-7)20-5-19-8/h2-4,10H,5H2,1H3,(H2,13,14,16)InChIKey
WZNIVHXIOSNYMS-UHFFFAOYSA-NSynonyms
159587-44-7159587447
4(13BENZODIOXOL5YL)6METHYL5NITRO34DIHYDRO1HPYRIMIDIN2ONE
4(13benzodioxol5yl)6methyl5nitro34dihydropyrimidin2(1H)one
4(benzo(d)(13)dioxol5yl)6methyl5nitro34dihydropyrimidin2(1H)one
4BENZO(13)DIOXOL5YL6METHYL5NITRO34DIHYDRO1HPYRIMIDIN2ONE
6(2HBENZO(34D)13DIOXOLAN5YL)4METHYL5NITRO136TRIHYDROPYRIMIDIN2ONE
CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)(N+)(=O)(O)
InChI=1SC12H11N3O5c1611(15(17)18)10(1412(16)136)72389(47)205198h2410H5H21H3(H2131416)
MFCD00423346
O=C1NC(=C(C(N1)c1ccc2c(c1)OCO2)(N+)(=O)(O))C
ZINC000000370173
ZINC000000370178
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