Vitas-M small molecule compound
ethyl 4-{5-[(E)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL375829
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)CC
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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 C20H18N2O6 MW 382.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6/c1-3-22-18(24)15(17(23)21-20(22)26)11-14-9-10-16(28-14)12-5-7-13(8-6-12)19(25)27-4-2/h5-11H,3-4H2,1-2H3,(H,21,23,26)/b15-11+InChIKey
HGWMTDDPRSKNED-RVDMUPIBSA-NSynonyms
CCN1C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OCC)C(=O)NC1=O
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)CC
ethyl4(5((E)(1ethyl246trioxo13diazinan5ylidene)methyl)furan2yl)benzoate
ethyl4(5((E)(1ethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
InChI=1SC20H18N2O6c132218(24)15(17(23)2120(22)26)111491016(2814)125713(8612)19(25)2742h511H34H212H3(H212326)b1511+
MFCD03928698
ZINC000059109621
ZINC59109621
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