Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK014299
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCc1ccc(cc1)C)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 C26H20BrClN2O5 MW 555.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrClN2O5/c1-15-3-5-16(6-4-15)14-35-23-21(28)12-17(13-22(23)34-2)11-20-24(31)29-26(33)30(25(20)32)19-9-7-18(27)8-10-19/h3-13H,14H2,1-2H3,(H,29,31,33)/b20-11-InChIKey
PPNQEGBNCXMIII-JAIQZWGSSA-NSynonyms
(5Z)1(4bromophenyl)5((3chloro5methoxy4((4methylphenyl)methoxy)phenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(3CHLORO5METHOXY4((4METHYLBENZYL)OXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)OC
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCc1ccc(cc1)C)Cl
InChI=1SC26H20BrClN2O5c1153516(6415)14352321(28)1217(1322(23)342)112024(31)2926(33)30(25(20)32)199718(27)81019h313H14H212H3(H293133)b2011
MFCD05976196
STK014299
ZINC000097957924
ZINC97957924
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