Vitas-M small molecule compound
6-hydroxy-2-[(Z)-2-(3-hydroxyphenyl)ethenyl]-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358726
SMILES Oc1cccc(c1)/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 C12H9N3O5 MW 275.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N3O5/c16-8-3-1-2-7(6-8)4-5-9-13-11(17)10(15(19)20)12(18)14-9/h1-6,16H,(H2,13,14,17,18)/b5-4-InChIKey
KSRHMBTWFQIUCI-PLNGDYQASA-NSynonyms
797778-36-02((1Z)2(3HYDROXYPHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
4HYDROXY2((Z)2(3HYDROXYPHENYL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
6hydroxy2((Z)2(3hydroxyphenyl)ethenyl)5nitropyrimidin4(3H)one
6HYDROXY2((Z)2(3HYDROXYPHENYL)VINYL)5NITRO3HPYRIMIDIN4ONE
797778360
C1=CC(=CC(=C1)O)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
InChI=1SC12H9N3O5c1683127(68)4591311(17)10(15(19)20)12(18)149h1616H(H213141718)b54
MFCD06010569
Oc1cccc(c1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
ZINC000009010340
ZINC09010340
ZINC9010340
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