Vitas-M small molecule compound
(5E)-5-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxybenzylidene}-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL418823
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)OC)OCc2c(F)cccc2Cl)/C1=O
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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 C26H20ClFN2O6 MW 510.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClFN2O6/c1-34-17-9-7-16(8-10-17)30-25(32)18(24(31)29-26(30)33)12-15-6-11-22(23(13-15)35-2)36-14-19-20(27)4-3-5-21(19)28/h3-13H,14H2,1-2H3,(H,29,31,33)/b18-12+InChIKey
UPLGJSSWXXSDMY-LDADJPATSA-NSynonyms
(5E)5((4((2CHLORO6FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
(5E)5(4((2chloro6fluorobenzyl)oxy)3methoxybenzylidene)1(4methoxyphenyl)pyrimidine246(1H3H5H)trione
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=C(C=CC=C4Cl)F)OC)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2c(F)cccc2Cl)C1=O
InChI=1SC26H20ClFN2O6c134179716(81017)3025(32)18(24(31)2926(30)33)121561122(23(1315)352)36141920(27)43521(19)28h313H14H212H3(H293133)b1812+
MFCD03167676
ZINC000009310347
ZINC09310347
ZINC9310347
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