Vitas-M small molecule compound
(5E)-5-{3-bromo-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxybenzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK008159
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCOc1ccccc1Cl)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 C26H19BrCl2N2O6 MW 606.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrCl2N2O6/c1-35-22-14-15(13-19(27)23(22)37-11-10-36-21-5-3-2-4-20(21)29)12-18-24(32)30-26(34)31(25(18)33)17-8-6-16(28)7-9-17/h2-9,12-14H,10-11H2,1H3,(H,30,32,34)/b18-12+InChIKey
VQVADAUDUQKMIQ-LDADJPATSA-NSynonyms
(5E)5((3BROMO4(2(2CHLOROPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5(3BROMO4(2(2CHLOROPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCCOC4=CC=CC=C4Cl
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCOc1ccccc1Cl)Br
InChI=1SC26H19BrCl2N2O6c135221415(1319(27)23(22)3711103621532420(21)29)121824(32)3026(34)31(25(18)33)178616(28)7917h291214H1011H21H3(H303234)b1812+
MFCD08049282
STK008159
ZINC000097957828
ZINC97957828
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