Vitas-M small molecule compound
6-hydroxy-2-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358734
SMILES COc1ccc(cc1O)/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 C13H11N3O6 MW 305.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O6/c1-22-9-4-2-7(6-8(9)17)3-5-10-14-12(18)11(16(20)21)13(19)15-10/h2-6,17H,1H3,(H2,14,15,18,19)/b5-3-InChIKey
CMQVRIGGZWFQOV-HYXAFXHYSA-NSynonyms
797779-25-02((1Z)2(3HYDROXY4METHOXYPHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
4HYDROXY2((Z)2(3HYDROXY4METHOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
6hydroxy2((Z)2(3hydroxy4methoxyphenyl)ethenyl)5nitropyrimidin4(3H)one
6HYDROXY2((Z)2(3HYDROXY4METHOXYPHENYL)VINYL)5NITRO3HPYRIMIDIN4ONE
797779250
COC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)O
COc1ccc(cc1O)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC13H11N3O6c1229427(68(9)17)35101412(18)11(16(20)21)13(19)1510h2617H1H3(H214151819)b53
MFCD06010618
ZINC000009010355
ZINC09010355
ZINC9010355
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