Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-ethoxybenzylidene}-1-(3-bromophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175285
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1OCc1ccc(cc1Cl)Cl)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 C26H18Br2Cl2N2O5 MW 669.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18Br2Cl2N2O5/c1-2-36-22-10-14(9-20(28)23(22)37-13-15-6-7-17(29)12-21(15)30)8-19-24(33)31-26(35)32(25(19)34)18-5-3-4-16(27)11-18/h3-12H,2,13H2,1H3,(H,31,33,35)/b19-8-InChIKey
XGJJRWNWKFQMAW-UWVJOHFNSA-NSynonyms
(5Z)5((3bromo4((24dichlorophenyl)methoxy)5ethoxyphenyl)methylidene)1(3bromophenyl)13diazinane246trione
(5Z)5(3BROMO4((24DICHLOROBENZYL)OXY)5ETHOXYBENZYLIDENE)1(3BROMOPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)Br)OCC4=C(C=C(C=C4)Cl)Cl
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1OCc1ccc(cc1Cl)Cl)Br
InChI=1SC26H18Br2Cl2N2O5c1236221014(920(28)23(22)3713156717(29)1221(15)30)81924(33)3126(35)32(25(19)34)1853416(27)1118h312H213H21H3(H313335)b198
MFCD02782235
ZINC000097960610
ZINC97960610
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