Vitas-M small molecule compound
6-[(E)-2-{4-[(3-fluorobenzyl)oxy]phenyl}ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK292809
SMILES Fc1cccc(c1)COc1ccc(cc1)/C=C/c1[nH]c(=O)[nH]c(=O)c1[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 C19H14FN3O5 MW 383.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14FN3O5/c20-14-3-1-2-13(10-14)11-28-15-7-4-12(5-8-15)6-9-16-17(23(26)27)18(24)22-19(25)21-16/h1-10H,11H2,(H2,21,22,24,25)/b9-6+InChIKey
VICJGTIPBYMSML-RMKNXTFCSA-NSynonyms
6((E)2(4((3fluorobenzyl)oxy)phenyl)ethenyl)5nitropyrimidine24(1H3H)dione
6((E)2(4((3fluorophenyl)methoxy)phenyl)ethenyl)5nitro1Hpyrimidine24dione
C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C=CC3=C(C(=O)NC(=O)N3)(N+)(=O)(O)
Fc1cccc(c1)COc1ccc(cc1)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O)
InChI=1SC19H14FN3O5c201431213(1014)1128157412(5815)691617(23(26)27)18(24)2219(25)2116h110H11H2(H221222425)b96+
MFCD09960477
ZINC000013945817
ZINC13945817
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