Vitas-M small molecule compound
(5E)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-1-[4-(propan-2-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170370
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)C(C)C)cc(c1O)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 C22H21BrN2O5 MW 473.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O5/c1-4-30-18-11-13(10-17(23)19(18)26)9-16-20(27)24-22(29)25(21(16)28)15-7-5-14(6-8-15)12(2)3/h5-12,26H,4H2,1-3H3,(H,24,27,29)/b16-9+InChIKey
QEYXWBTWBYJSGG-CXUHLZMHSA-NSynonyms
(5E)5((3BROMO5ETHOXY4HYDROXYPHENYL)METHYLIDENE)1(4PROPAN2YLPHENYL)13DIAZINANE246TRIONE
(5E)5(3BROMO5ETHOXY4HYDROXYBENZYLIDENE)1(4(PROPAN2YL)PHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(C)C)Br)O
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C(C)C)cc(c1O)Br
InChI=1SC22H21BrN2O5c1430181113(1017(23)19(18)26)91620(27)2422(29)25(21(16)28)157514(6815)12(2)3h51226H4H213H3(H242729)b169+
MFCD02628690
ZINC000002919138
ZINC02919138
ZINC2919138
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