Vitas-M small molecule compound
6-{(E)-2-[4-(benzyloxy)-3-ethoxy-5-iodophenyl]ethenyl}-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK287297
SMILES CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(c1OCc1ccccc1)I
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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 C21H18IN3O6 MW 535.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18IN3O6/c1-2-30-17-11-14(8-9-16-18(25(28)29)20(26)24-21(27)23-16)10-15(22)19(17)31-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,23,24,26,27)/b9-8+InChIKey
LEXHJVIOSOYNCR-CMDGGOBGSA-NSynonyms
6((E)2(3ETHOXY5IODO4PHENYLMETHOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6((E)2(4(benzyloxy)3ethoxy5iodophenyl)ethenyl)5nitropyrimidine24(1H3H)dione
CCOC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))I)OCC3=CC=CC=C3
CCOc1cc(C=Cc2(nH)c(=O)(nH)c(=O)c2(N+)(=O)(O))cc(c1OCc1ccccc1)I
InChI=1SC21H18IN3O6c1230171114(891618(25(28)29)20(26)2421(27)2316)1015(22)19(17)3112136435713h311H212H21H3(H223242627)b98+
MFCD06761306
ZINC100419167
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