Vitas-M small molecule compound
2-[(E)-2-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358753
SMILES COc1cc(ccc1OCc1ccccc1F)/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 C20H16FN3O6 MW 413.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O6/c1-29-16-10-12(6-8-15(16)30-11-13-4-2-3-5-14(13)21)7-9-17-22-19(25)18(24(27)28)20(26)23-17/h2-10H,11H2,1H3,(H2,22,23,25,26)/b9-7+InChIKey
SUHCXUQUJGHTDR-VQHVLOKHSA-NSynonyms
2((E)2(4((2fluorobenzyl)oxy)3methoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(4((2FLUOROPHENYL)METHOXY)3METHOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC3=CC=CC=C3F
COc1cc(ccc1OCc1ccccc1F)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC20H16FN3O6c129161012(6815(16)301113423514(13)21)79172219(25)18(24(27)28)20(26)2317h210H11H21H3(H222232526)b97+
MFCD07037478
ZINC000009234965
ZINC9234965
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