Vitas-M small molecule compound
ethyl 4-[(5E)-2-hydroxy-5-(4-hydroxy-3-methoxybenzylidene)-4,6-dioxo-5,6-dihydropyrimidin-1(4H)-yl]benzoate
Catalog ID
STL039250
SMILES CCOC(=O)c1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(c(c2)OC)O)/C1=O)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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-3-30-20(27)13-5-7-14(8-6-13)23-19(26)15(18(25)22-21(23)28)10-12-4-9-16(24)17(11-12)29-2/h4-11,24H,3H2,1-2H3,(H,22,25,28)/b15-10+InChIKey
KQFPOPYNVCLYDF-XNTDXEJSSA-NSynonyms
674366-08-6674366086
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)OC)C(=O)NC2=O
CCOC(=O)c1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc(c(c2)OC)O)C1=O)O
ethyl4((5E)2hydroxy5(4hydroxy3methoxybenzylidene)46dioxo56dihydropyrimidin1(4H)yl)benzoate
ETHYL4((5E)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOATE
InChI=1SC21H18N2O7c133020(27)135714(8613)2319(26)15(18(25)2221(23)28)10124916(24)17(1112)292h41124H3H212H3(H222528)b1510+
MFCD04077004
ZINC000005026023
ZINC5026023
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