Vitas-M small molecule compound
(5E)-1-(4-methoxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK713174
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(o2)[N+](=O)[O-])/C1=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 C16H11N3O7 MW 357.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O7/c1-25-10-4-2-9(3-5-10)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(26-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+InChIKey
NYOVVPQEUCYLSQ-XYOKQWHBSA-NSynonyms
(5E)1(4METHOXYPHENYL)5((5NITROFURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4methoxyphenyl)5((5nitrofuran2yl)methylidene)pyrimidine246(1H3H5H)trione
(Z)1(4methoxyphenyl)5((5nitrofuran2yl)methylene)pyrimidine246(1H3H5H)trione
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)(N+)(=O)(O))C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)(N+)(=O)(O))C1=O
InChI=1SC16H11N3O7c12510429(3510)1815(21)12(14(20)1716(18)22)8116713(2611)19(23)24h28H1H3(H172022)b128+
MFCD13371532
ZINC000002280212
ZINC2280212
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