Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-6-ethyl-5-nitro-3,4-dihydropyrimidin-2(1H)-one
Catalog ID
STK369452
SMILES CCC1=C([N+](=O)[O-])C(NC(=O)N1)c1ccc2c(c1)OCO2
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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 C13H13N3O5 MW 291.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O5/c1-2-8-12(16(18)19)11(15-13(17)14-8)7-3-4-9-10(5-7)21-6-20-9/h3-5,11H,2,6H2,1H3,(H2,14,15,17)InChIKey
ZHPLGDGVANEAJZ-UHFFFAOYSA-NSynonyms
294656-25-04(13BENZODIOXOL5YL)6ETHYL5NITRO34DIHYDRO1HPYRIMIDIN2ONE
4(13benzodioxol5yl)6ethyl5nitro34dihydropyrimidin2(1H)one
4(benzo(d)(13)dioxol5yl)6ethyl5nitro34dihydropyrimidin2(1H)one
4BENZO(13)DIOXOL5YL6ETHYL5NITRO34DIHYDRO1HPYRIMIDIN2ONE
6(2HBENZO(34D)13DIOXOLEN5YL)4ETHYL5NITRO136TRIHYDROPYRIMIDIN2ONE
CCC1=C((N+)(=O)(O))C(NC(=O)N1)c1ccc2c(c1)OCO2
CCC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)(N+)(=O)(O)
InChI=1SC13H13N3O5c12812(16(18)19)11(1513(17)148)734910(57)216209h3511H26H21H3(H2141517)
MFCD00412077
ZINC000000248090
ZINC000000248093
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