Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176994
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccccc1)Br
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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 C25H18BrClN2O5 MW 541.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrClN2O5/c1-33-21-13-16(12-20(26)22(21)34-14-15-5-3-2-4-6-15)11-19-23(30)28-25(32)29(24(19)31)18-9-7-17(27)8-10-18/h2-13H,14H2,1H3,(H,28,30,32)/b19-11+InChIKey
JZRCSXIZEWYTHN-YBFXNURJSA-NSynonyms
(5E)5((3bromo5methoxy4phenylmethoxyphenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5E)5(4(BENZYLOXY)3BROMO5METHOXYBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC4=CC=CC=C4
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccccc1)Br
InChI=1SC25H18BrClN2O5c133211316(1220(26)22(21)3414155324615)111923(30)2825(32)29(24(19)31)189717(27)81018h213H14H21H3(H283032)b1911+
MFCD01610357
ZINC000100192620
ZINC100192620
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