Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK087750
SMILES COc1cc(ccc1OCCOc1c(C)cccc1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C28H25BrN2O6 MW 565.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN2O6/c1-17-5-4-6-18(2)25(17)37-14-13-36-23-12-7-19(16-24(23)35-3)15-22-26(32)30-28(34)31(27(22)33)21-10-8-20(29)9-11-21/h4-12,15-16H,13-14H2,1-3H3,(H,30,32,34)/b22-15+InChIKey
OWTAUHKGMHXWIP-PXLXIMEGSA-NSynonyms
(5E)1(4BROMOPHENYL)5((4(2(26DIMETHYLPHENOXY)ETHOXY)3METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4BROMOPHENYL)5(4(2(26DIMETHYLPHENOXY)ETHOXY)3METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C(=CC=C1)C)OCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)OC
COc1cc(ccc1OCCOc1c(C)cccc1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
InChI=1SC28H25BrN2O6c11754618(2)25(17)371413362312719(1624(23)353)152226(32)3028(34)31(27(22)33)2110820(29)91121h4121516H1314H213H3(H303234)b2215+
MFCD08672763
STK087750
ZINC000097959161
ZINC97959161
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