Vitas-M small molecule compound
5-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL358697
SMILES O=c1n(C)c2c(n1C)cc(cc2)/C=C\c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-]
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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 C15H13N5O5 MW 343.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N5O5/c1-18-9-5-3-8(7-10(9)19(2)15(18)23)4-6-11-16-13(21)12(20(24)25)14(22)17-11/h3-7H,1-2H3,(H2,16,17,21,22)/b6-4-InChIKey
JANMKJRBGNAGCL-XQRVVYSFSA-NSynonyms
(E)5(2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)vinyl)13dimethyl1Hbenzo(d)imidazol2(3H)one
5((Z)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)13dimethyl13dihydro2Hbenzimidazol2one
5((Z)2(4HYDROXY5NITRO6OXO1HPYRIMIDIN2YL)ETHENYL)13DIMETHYLBENZIMIDAZOL2ONE
InChI=1SC15H13N5O5c1189538(710(9)19(2)15(18)23)46111613(21)12(20(24)25)14(22)1711h37H12H3(H216172122)b64
MFCD05992819
O=c1n(C)c2c(n1C)cc(cc2)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
ZINC000016361660
ZINC16361660
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