Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-3-bromo-5-ethoxybenzylidene]-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK177037
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccccc1)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 C26H20BrClN2O5 MW 555.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrClN2O5/c1-2-34-22-14-17(13-21(27)23(22)35-15-16-6-4-3-5-7-16)12-20-24(31)29-26(33)30(25(20)32)19-10-8-18(28)9-11-19/h3-14H,2,15H2,1H3,(H,29,31,33)/b20-12+InChIKey
PUHJXGKBOSQMFV-UDWIEESQSA-NSynonyms
(5E)5((3bromo5ethoxy4phenylmethoxyphenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5E)5(4(BENZYLOXY)3BROMO5ETHOXYBENZYLIDENE)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=CC=C4
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccccc1)Br
InChI=1SC26H20BrClN2O5c1234221417(1321(27)23(22)3515166435716)122024(31)2926(33)30(25(20)32)1910818(28)91119h314H215H21H3(H293133)b2012+
MFCD01610415
ZINC000100192761
ZINC100192761
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