Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{3-chloro-4-[(3,4-dichlorobenzyl)oxy]-5-ethoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK020797
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCc1ccc(c(c1)Cl)Cl)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 C26H18BrCl3N2O5 MW 624.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrCl3N2O5/c1-2-36-22-12-15(11-21(30)23(22)37-13-14-3-8-19(28)20(29)10-14)9-18-24(33)31-26(35)32(25(18)34)17-6-4-16(27)5-7-17/h3-12H,2,13H2,1H3,(H,31,33,35)/b18-9-InChIKey
LPOCYCOTZZNDIW-NVMNQCDNSA-NSynonyms
(5Z)1(4bromophenyl)5((3chloro4((34dichlorophenyl)methoxy)5ethoxyphenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(3CHLORO4((34DICHLOROBENZYL)OXY)5ETHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)Cl)OCC4=CC(=C(C=C4)Cl)Cl
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCc1ccc(c(c1)Cl)Cl)Cl
InChI=1SC26H18BrCl3N2O5c1236221215(1121(30)23(22)3713143819(28)20(29)1014)91824(33)3126(35)32(25(18)34)176416(27)5717h312H213H21H3(H313335)b189
MFCD05976201
STK020797
ZINC000097958028
ZINC97958028
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