Vitas-M small molecule compound
(5Z)-5-{3-bromo-5-ethoxy-4-[(2-methylbenzyl)oxy]benzylidene}-1-(4-bromophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK055660
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCc1ccccc1C)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 C27H22Br2N2O5 MW 614.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Br2N2O5/c1-3-35-23-14-17(13-22(29)24(23)36-15-18-7-5-4-6-16(18)2)12-21-25(32)30-27(34)31(26(21)33)20-10-8-19(28)9-11-20/h4-14H,3,15H2,1-2H3,(H,30,32,34)/b21-12-InChIKey
KMBYQLJJJQSVJJ-MTJSOVHGSA-NSynonyms
(5Z)5((3bromo5ethoxy4((2methylphenyl)methoxy)phenyl)methylidene)1(4bromophenyl)13diazinane246trione
(5Z)5(3BROMO5ETHOXY4((2METHYLBENZYL)OXY)BENZYLIDENE)1(4BROMOPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)Br)OCC4=CC=CC=C4C
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCc1ccccc1C)Br
InChI=1SC27H22Br2N2O5c1335231417(1322(29)24(23)361518754616(18)2)122125(32)3027(34)31(26(21)33)2010819(28)91120h414H315H212H3(H303234)b2112
MFCD05976202
STK055660
ZINC000097958732
ZINC97958732
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