Vitas-M small molecule compound
6-{(E)-2-[3-ethoxy-4-methoxy-5-(prop-2-en-1-yl)phenyl]ethenyl}-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK319345
SMILES CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(c1OC)CC=C
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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 C18H19N3O6 MW 373.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O6/c1-4-6-12-9-11(10-14(27-5-2)16(12)26-3)7-8-13-15(21(24)25)17(22)20-18(23)19-13/h4,7-10H,1,5-6H2,2-3H3,(H2,19,20,22,23)/b8-7+InChIKey
BKHCFYZEQGCBQJ-BQYQJAHWSA-NSynonyms
6((E)2(3ethoxy4methoxy5(prop2en1yl)phenyl)ethenyl)5nitropyrimidine24(1H3H)dione
6((E)2(3ethoxy4methoxy5prop2enylphenyl)ethenyl)5nitro1Hpyrimidine24dione
CCOC1=CC(=CC(=C1OC)CC=C)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O)
CCOc1cc(C=Cc2(nH)c(=O)(nH)c(=O)c2(N+)(=O)(O))cc(c1OC)CC=C
InChI=1SC18H19N3O6c14612911(1014(2752)16(12)263)781315(21(24)25)17(22)2018(23)1913h4710H156H223H3(H219202223)b87+
MFCD04388181
ZINC000006354880
ZINC6354880
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