Vitas-M small molecule compound
(5E)-5-{3-chloro-5-ethoxy-4-[(2-methylbenzyl)oxy]benzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK057905
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccccc1C)Cl
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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 C27H22Cl2N2O5 MW 525.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N2O5/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
QALJANFJLAZICY-CIAFOILYSA-NSynonyms
(5E)5((3CHLORO5ETHOXY4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5(3CHLORO5ETHOXY4((2METHYLBENZYL)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)Cl)OCC4=CC=CC=C4C
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccccc1C)Cl
InChI=1SC27H22Cl2N2O5c1335231417(1322(29)24(23)361518754616(18)2)122125(32)3027(34)31(26(21)33)2010819(28)91120h414H315H212H3(H303234)b2112+
MFCD08051405
STK057905
ZINC000097958763
ZINC97958763
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