Vitas-M small molecule compound
6-hydroxy-2-[(Z)-2-(4-methylphenyl)ethenyl]-5-nitropyrimidin-4(3H)-one
Catalog ID
STK869047
SMILES Oc1nc(/C=C\c2ccc(cc2)C)[nH]c(=O)c1[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 C13H11N3O4 MW 273.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O4/c1-8-2-4-9(5-3-8)6-7-10-14-12(17)11(16(19)20)13(18)15-10/h2-7H,1H3,(H2,14,15,17,18)/b7-6-InChIKey
KTHITSMADFALHF-SREVYHEPSA-NSynonyms
(E)6hydroxy2(4methylstyryl)5nitropyrimidin4(3H)one
4hydroxy2((Z)2(4methylphenyl)ethenyl)5nitro1Hpyrimidin6one
6hydroxy2((Z)2(4methylphenyl)ethenyl)5nitropyrimidin4(3H)one
CC1=CC=C(C=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
InChI=1SC13H11N3O4c18249(538)67101412(17)11(16(19)20)13(18)1510h27H1H3(H214151718)b76
MFCD18170058
Oc1nc(C=Cc2ccc(cc2)C)(nH)c(=O)c1(N+)(=O)(O)
ZINC000016291530
ZINC16291530
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