Vitas-M small molecule compound

2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-5-nitropyrimidine-4,6-diol

Catalog ID
STK612938
SMILES COc1cc(/C=C/c2nc(O)c(c(n2)O)[N+](=O)[O-])cc(c1OCc1cccc(c1)F)Br

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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 C20H15BrFN3O6 MW 492.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrFN3O6/c1-30-15-9-11(5-6-16-23-19(26)17(25(28)29)20(27)24-16)8-14(21)18(15)31-10-12-3-2-4-13(22)7-12/h2-9H,10H2,1H3,(H2,23,24,26,27)/b6-5+
InChIKey
CKOLOGAOLCQKDY-AATRIKPKSA-N
Synonyms
708280-60-8
2((E)2(3bromo4((3fluorobenzyl)oxy)5methoxyphenyl)ethenyl)5nitropyrimidine46diol
2((E)2(3BROMO4((3FLUOROPHENYL)METHOXY)5METHOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
COC1=C(C(=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)Br)OCC3=CC(=CC=C3)F
COc1cc(C=Cc2nc(O)c(c(n2)O)(N+)(=O)(O))cc(c1OCc1cccc(c1)F)Br
InChI=1SC20H15BrFN3O6c13015911(56162319(26)17(25(28)29)20(27)2416)814(21)18(15)31101232413(22)712h29H10H21H3(H223242627)b65+
MFCD08735784
ZINC000009409902
ZINC9409902

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Available files

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