Vitas-M small molecule compound
ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate
Catalog ID
STL354737
SMILES CCOC(=O)c1cccc(c1)c1ccc(o1)/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 C19H15N3O7 MW 397.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O7/c1-2-28-19(25)12-5-3-4-11(10-12)14-8-6-13(29-14)7-9-15-20-17(23)16(22(26)27)18(24)21-15/h3-10H,2H2,1H3,(H2,20,21,23,24)/b9-7+InChIKey
YJANCXWFMHCUGK-VQHVLOKHSA-NSynonyms
872546-00-4872546004
CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
CCOC(=O)c1cccc(c1)c1ccc(o1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
ethyl3(5((E)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)furan2yl)benzoate
ETHYL3(5((E)2(4HYDROXY5NITRO6OXO1HPYRIMIDIN2YL)ETHENYL)FURAN2YL)BENZOATE
InChI=1SC19H15N3O7c122819(25)1253411(1012)148613(2914)79152017(23)16(22(26)27)18(24)2115h310H2H21H3(H220212324)b97+
MFCD06782389
ZINC000015009354
ZINC15009354
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