Vitas-M small molecule compound
6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STL507444
SMILES O=c1[nH]c(/C=C/c2ccc3c(c2)OCO3)c(c(=O)[nH]1)[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 C13H9N3O6 MW 303.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N3O6/c17-12-11(16(19)20)8(14-13(18)15-12)3-1-7-2-4-9-10(5-7)22-6-21-9/h1-5H,6H2,(H2,14,15,17,18)/b3-1+InChIKey
DDMIGSXWDRQILX-HNQUOIGGSA-NSynonyms
5761520
6((~(E))2(13benzodioxol5yl)ethenyl)5nitro1~(H)pyrimidine24dione
6((E)2(13BENZODIOXOL5YL)1ETHENYL)5NITRO24(1H3H)PYRIMIDINEDIONE
6((E)2(13BENZODIOXOL5YL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6((E)2(13benzodioxol5yl)ethenyl)5nitropyrimidine24(1H3H)dione
6(2BENZO(13)DIOXOL5YLVINYL)5NITRO1HPYRIMIDINE24DIONE
InChI=1SC13H9N3O6c171211(16(19)20)8(1413(18)1512)31724910(57)226219h15H6H2(H214151718)b31+
MFCD01044887
ZINC000004538731
ZINC4538731
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