Vitas-M small molecule compound
(5E)-5-{3-bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]benzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK017579
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccc(cc1)C)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 C27H22BrClN2O5 MW 569.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrClN2O5/c1-3-35-23-14-18(13-22(28)24(23)36-15-17-6-4-16(2)5-7-17)12-21-25(32)30-27(34)31(26(21)33)20-10-8-19(29)9-11-20/h4-14H,3,15H2,1-2H3,(H,30,32,34)/b21-12+InChIKey
ILCYCMZQDDQQLG-CIAFOILYSA-NSynonyms
(5E)5((3BROMO5ETHOXY4((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5(3BROMO5ETHOXY4((4METHYLBENZYL)OXY)BENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC4=CC=C(C=C4)C
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccc(cc1)C)Br
InChI=1SC27H22BrClN2O5c1335231418(1322(28)24(23)3615176416(2)5717)122125(32)3027(34)31(26(21)33)2010819(29)91120h414H315H212H3(H303234)b2112+
MFCD08049692
STK017579
ZINC000097957974
ZINC97957974
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