Vitas-M small molecule compound

5-{3-bromo-4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK170402
SMILES O=C1N(C)C(=O)C(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)[N+](=O)[O-])C(=O)N1C

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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 C20H16BrN3O6 MW 474.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O6/c1-22-18(25)15(19(26)23(2)20(22)27)9-13-5-8-17(16(21)10-13)30-11-12-3-6-14(7-4-12)24(28)29/h3-10H,11H2,1-2H3
InChIKey
FNOBAFYTUXXVPZ-UHFFFAOYSA-N
Synonyms

5((3BROMO4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)13DIMETHYL13DIAZINANE246TRIONE
5(3BROMO4((4NITROBENZYL)OXY)BENZYLIDENE)13DIMETHYLPYRIMIDINE246(1H3H5H)TRIONE
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))Br)C(=O)N(C1=O)C
InChI=1SC20H16BrN3O6c12218(25)15(19(26)23(2)20(22)27)9135817(16(21)1013)3011123614(7412)24(28)29h310H11H212H3
MFCD02628943
O=C1N(C)C(=O)C(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)(N+)(=O)(O))C(=O)N1C
ZINC000001184355
ZINC01184355
ZINC1184355

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Available files

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