Vitas-M small molecule compound
(5E)-5-{3-bromo-4-[(3-nitrobenzyl)oxy]benzylidene}-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175204
SMILES CN1C(=O)NC(=O)/C(=C\c2ccc(c(c2)Br)OCc2cccc(c2)[N+](=O)[O-])/C1=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 C19H14BrN3O6 MW 460.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3O6/c1-22-18(25)14(17(24)21-19(22)26)8-11-5-6-16(15(20)9-11)29-10-12-3-2-4-13(7-12)23(27)28/h2-9H,10H2,1H3,(H,21,24,26)/b14-8+InChIKey
JKUVVJOQLRGRSJ-RIYZIHGNSA-NSynonyms
(5E)5((3bromo4((3nitrophenyl)methoxy)phenyl)methylidene)1methyl13diazinane246trione
(5E)5(3BROMO4((3NITROBENZYL)OXY)BENZYLIDENE)1METHYLPYRIMIDINE246(1H3H5H)TRIONE
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)(N+)(=O)(O))Br)C(=O)NC1=O
CN1C(=O)NC(=O)C(=Cc2ccc(c(c2)Br)OCc2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC19H14BrN3O6c12218(25)14(17(24)2119(22)26)8115616(15(20)911)29101232413(712)23(27)28h29H10H21H3(H212426)b148+
MFCD04595697
ZINC000009259618
ZINC09259618
ZINC9259618
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