Vitas-M small molecule compound
5-{3-bromo-4-[(4-nitrobenzyl)oxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176706
SMILES O=C1NC(=O)C(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)[N+](=O)[O-])C(=O)N1
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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 C18H12BrN3O6 MW 446.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrN3O6/c19-14-8-11(7-13-16(23)20-18(25)21-17(13)24)3-6-15(14)28-9-10-1-4-12(5-2-10)22(26)27/h1-8H,9H2,(H2,20,21,23,24,25)InChIKey
JACZYZROVBEKSH-UHFFFAOYSA-NSynonyms
5((3BROMO4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)13DIAZINANE246TRIONE
5(3BROMO4((4NITROBENZYL)OXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
C1=CC(=CC=C1COC2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)Br)(N+)(=O)(O)
InChI=1SC18H12BrN3O6c1914811(71316(23)2018(25)2117(13)24)3615(14)289101412(5210)22(26)27h18H9H2(H22021232425)
MFCD02614599
O=C1NC(=O)C(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)(N+)(=O)(O))C(=O)N1
ZINC000002883841
ZINC2883841
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