Vitas-M small molecule compound

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

Catalog ID
STK170621
SMILES Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(Br)c(c(c2)[N+](=O)[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 C17H9BrClN3O6 MW 466.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9BrClN3O6/c18-12-6-8(7-13(14(12)23)22(27)28)5-11-15(24)20-17(26)21(16(11)25)10-3-1-9(19)2-4-10/h1-7,23H,(H,20,24,26)/b11-5+
InChIKey
BEAGOWNNNFNFSP-VZUCSPMQSA-N
Synonyms

(5E)5((3BROMO4HYDROXY5NITROPHENYL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5(3BROMO4HYDROXY5NITROBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)(N+)(=O)(O))C(=O)NC2=O)Cl
Clc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Br)c(c(c2)(N+)(=O)(O))O)C1=O
InChI=1SC17H9BrClN3O6c181268(713(14(12)23)22(27)28)51115(24)2017(26)21(16(11)25)10319(19)2410h1723H(H202426)b115+
MFCD01610446
ZINC000013546430
ZINC13546430

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Available files

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