Vitas-M small molecule compound
ethyl 4-[(5E)-5-(3,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoate
Catalog ID
STK529355
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)OC)OC)/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 C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c1-4-31-21(27)14-6-8-15(9-7-14)24-20(26)16(19(25)23-22(24)28)11-13-5-10-17(29-2)18(12-13)30-3/h5-12H,4H2,1-3H3,(H,23,25,28)/b16-11+InChIKey
QYEYNONOEONNJO-LFIBNONCSA-NSynonyms
300591-36-0(E)ethyl4(5(34dimethoxybenzylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoate
300591360
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)OC)C(=O)NC2=O
CCOC(=O)c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)OC)OC)C1=O
ETHYL4((5E)5((34DIMETHOXYPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOATE
ethyl4((5E)5(34dimethoxybenzylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoate
InChI=1SC22H20N2O7c143121(27)146815(9714)2420(26)16(19(25)2322(24)28)111351017(292)18(1213)303h512H4H213H3(H232528)b1611+
MFCD01550928
ZINC000002250545
ZINC02250545
ZINC2250545
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