Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK037391
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1cc(C)ccc1C)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 C28H24BrClN2O6 MW 599.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24BrClN2O6/c1-16-4-5-17(2)23(12-16)37-10-11-38-25-22(30)14-18(15-24(25)36-3)13-21-26(33)31-28(35)32(27(21)34)20-8-6-19(29)7-9-20/h4-9,12-15H,10-11H2,1-3H3,(H,31,33,35)/b21-13+InChIKey
STKBJHXRBIFCAR-FYJGNVAPSA-NSynonyms
(5E)1(4BROMOPHENYL)5((3CHLORO4(2(25DIMETHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4BROMOPHENYL)5(3CHLORO4(2(25DIMETHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=C(C=C1)C)OCCOC2=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(c1OCCOc1cc(C)ccc1C)Cl
InChI=1SC28H24BrClN2O6c1164517(2)23(1216)371011382522(30)1418(1524(25)363)132126(33)3128(35)32(27(21)34)208619(29)7920h491215H1011H213H3(H313335)b2113+
MFCD08050524
STK037391
ZINC000097958501
ZINC97958501
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