Vitas-M small molecule compound

ethyl {2,6-dichloro-4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]phenoxy}acetate

Catalog ID
STL367342
SMILES CCOC(=O)COc1c(Cl)cc(cc1Cl)/C=C/c1nc(O)nc(c1[N+](=O)[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 C16H13Cl2N3O7 MW 430.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl2N3O7/c1-2-27-12(22)7-28-14-9(17)5-8(6-10(14)18)3-4-11-13(21(25)26)15(23)20-16(24)19-11/h3-6H,2,7H2,1H3,(H2,19,20,23,24)/b4-3+
InChIKey
CNZSWVUFKCTLKL-ONEGZZNKSA-N
Synonyms

CCOC(=O)COc1c(Cl)cc(cc1Cl)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
ethyl(26dichloro4((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)phenoxy)acetate
MFCD28951756
ZINC000013943447

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.