Vitas-M small molecule compound

5-(3-bromo-4-hydroxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK696657
SMILES O=C1NC(=O)C(=Cc2cc(Br)c(c(c2)[N+](=O)[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 C11H6BrN3O6 MW 356.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H6BrN3O6/c12-6-2-4(3-7(8(6)16)15(20)21)1-5-9(17)13-11(19)14-10(5)18/h1-3,16H,(H2,13,14,17,18,19)
InChIKey
UIQBKFLYTAMCRF-UHFFFAOYSA-N
Synonyms

5((3BROMO4HYDROXY5NITROPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
5(3BROMO4HYDROXY5NITROBENZYLIDENE)246(1H3H5H)PYRIMIDINETRIONE
5(3BROMO4HYDROXY5NITROBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
C1=C(C=C(C(=C1(N+)(=O)(O))O)Br)C=C2C(=O)NC(=O)NC2=O
InChI=1SC11H6BrN3O6c12624(37(8(6)16)15(20)21)159(17)1311(19)1410(5)18h1316H(H21314171819)
MFCD01053094
O=C1NC(=O)C(=Cc2cc(Br)c(c(c2)(N+)(=O)(O))O)C(=O)N1
ZINC000004380724
ZINC4380724

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Available files

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