Vitas-M small molecule compound
6-hydroxy-2-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358732
SMILES COc1ccc(cc1)/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 C13H11N3O5 MW 289.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O5/c1-21-9-5-2-8(3-6-9)4-7-10-14-12(17)11(16(19)20)13(18)15-10/h2-7H,1H3,(H2,14,15,17,18)/b7-4-InChIKey
BLYOMZFPRBCQQW-DAXSKMNVSA-NSynonyms
4hydroxy2((Z)2(4methoxyphenyl)ethenyl)5nitro1Hpyrimidin6one
6hydroxy2((Z)2(4methoxyphenyl)ethenyl)5nitropyrimidin4(3H)one
COC1=CC=C(C=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
COc1ccc(cc1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC13H11N3O5c1219528(369)47101412(17)11(16(19)20)13(18)1510h27H1H3(H214151718)b74
MFCD27966469
ZINC000016215931
ZINC16215931
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