Vitas-M small molecule compound
(5E)-5-[2-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170640
SMILES C#CCOc1cc(Br)c(cc1OC)/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 C21H14BrClN2O5 MW 489.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrClN2O5/c1-3-8-30-18-11-16(22)12(10-17(18)29-2)9-15-19(26)24-21(28)25(20(15)27)14-6-4-13(23)5-7-14/h1,4-7,9-11H,8H2,2H3,(H,24,26,28)/b15-9+InChIKey
IHSNTMUUSNAPSB-OQLLNIDSSA-NSynonyms
(5E)5((2BROMO5METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5(2BROMO5METHOXY4(PROP2YN1YLOXY)BENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
C#CCOc1cc(Br)c(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
COC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC#C
InChI=1SC21H14BrClN2O5c13830181116(22)12(1017(18)292)91519(26)2421(28)25(20(15)27)146413(23)5714h147911H8H22H3(H242628)b159+
MFCD02108647
ZINC000002948039
ZINC02948039
ZINC2948039
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