Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK039610
SMILES CCOc1cc(ccc1OCCOc1c(C)cccc1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C29H27ClN2O6 MW 535.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O6/c1-4-36-25-17-20(8-13-24(25)37-14-15-38-26-18(2)6-5-7-19(26)3)16-23-27(33)31-29(35)32(28(23)34)22-11-9-21(30)10-12-22/h5-13,16-17H,4,14-15H2,1-3H3,(H,31,33,35)/b23-16+InChIKey
IKBRCMFRHUSLIN-XQNSMLJCSA-NSynonyms
(5E)1(4CHLOROPHENYL)5((4(2(26DIMETHYLPHENOXY)ETHOXY)3ETHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4CHLOROPHENYL)5(4(2(26DIMETHYLPHENOXY)ETHOXY)3ETHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OCCOC4=C(C=CC=C4C)C
CCOc1cc(ccc1OCCOc1c(C)cccc1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC29H27ClN2O6c1436251720(81324(25)371415382618(2)65719(26)3)162327(33)3129(35)32(28(23)34)2211921(30)101222h5131617H41415H213H3(H313335)b2316+
MFCD08050626
STK039610
ZINC000097958529
ZINC97958529
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