Vitas-M small molecule compound
4-(3,4-dimethoxyphenyl)-6-methyl-5-nitro-3,4-dihydropyrimidin-2(1H)-one
Catalog ID
STK369894
SMILES COc1cc(ccc1OC)C1NC(=O)NC(=C1[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 C13H15N3O5 MW 293.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O5/c1-7-12(16(18)19)11(15-13(17)14-7)8-4-5-9(20-2)10(6-8)21-3/h4-6,11H,1-3H3,(H2,14,15,17)InChIKey
XNROXMLNSMHFFB-UHFFFAOYSA-NSynonyms
4(34DIMETHOXYPHENYL)6METHYL5NITRO34DIHYDRO1HPYRIMIDIN2ONE
4(34dimethoxyphenyl)6methyl5nitro34dihydropyrimidin2(1H)one
6(34DIMETHOXYPHENYL)4METHYL5NITRO136TRIHYDROPYRIMIDIN2ONE
CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)OC)(N+)(=O)(O)
COc1cc(ccc1OC)C1NC(=O)NC(=C1(N+)(=O)(O))C
InChI=1SC13H15N3O5c1712(16(18)19)11(1513(17)147)8459(202)10(68)213h4611H13H3(H2141517)
MFCD00193892
ZINC000000251494
ZINC000004017962
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