Vitas-M small molecule compound
ethyl 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoate
Catalog ID
STK530793
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)OCO3)/C1=O
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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 C21H16N2O7 MW 408.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O7/c1-2-28-20(26)13-4-6-14(7-5-13)23-19(25)15(18(24)22-21(23)27)9-12-3-8-16-17(10-12)30-11-29-16/h3-10H,2,11H2,1H3,(H,22,24,27)/b15-9+InChIKey
VKOSYRUQJSLTSX-OQLLNIDSSA-NSynonyms
(E)ethyl4(5(benzo(d)(13)dioxol5ylmethylene)246trioxotetrahydropyrimidin1(2H)yl)benzoate
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)C(=O)NC2=O
CCOC(=O)c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc3c(c2)OCO3)C1=O
ETHYL4((5E)5(13BENZODIOXOL5YLMETHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOATE
ethyl4((5E)5(13benzodioxol5ylmethylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoate
InChI=1SC21H16N2O7c122820(26)134614(7513)2319(25)15(18(24)2221(23)27)912381617(1012)30112916h310H211H21H3(H222427)b159+
MFCD01545093
ZINC000002297500
ZINC02297500
ZINC2297500
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