Vitas-M small molecule compound
5-{3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK081288
SMILES COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(c1OCCOc1ccc(c(c1)C)C)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 C22H21BrN2O6 MW 489.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O6/c1-12-4-5-15(8-13(12)2)30-6-7-31-19-17(23)10-14(11-18(19)29-3)9-16-20(26)24-22(28)25-21(16)27/h4-5,8-11H,6-7H2,1-3H3,(H2,24,25,26,27,28)InChIKey
BVVCXVNXZFASBK-UHFFFAOYSA-NSynonyms
5((3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
5(3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2Br)C=C3C(=O)NC(=O)NC3=O)OC)C
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(c1OCCOc1ccc(c(c1)C)C)Br
InChI=1SC22H21BrN2O6c1124515(813(12)2)3067311917(23)1014(1118(19)293)91620(26)2422(28)2521(16)27h45811H67H213H3(H22425262728)
MFCD02017701
STK081288
ZINC000013893163
ZINC13893163
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