Vitas-M small molecule compound

ethyl 4-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoate

Catalog ID
STK834581
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)OCC)O)/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/c1-3-30-18-12-13(5-10-17(18)25)11-16-19(26)23-22(29)24(20(16)27)15-8-6-14(7-9-15)21(28)31-4-2/h5-12,25H,3-4H2,1-2H3,(H,23,26,29)/b16-11-
InChIKey
ZTBTXLPQCKZTNP-WJDWOHSUSA-N
Synonyms
314032-76-3
(Z)ethyl4(5(3ethoxy4hydroxybenzylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoate
314032763
CCOC(=O)c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)OCC)O)C1=O
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)O
ETHYL4((5Z)5((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOATE
ethyl4((5Z)5(3ethoxy4hydroxybenzylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoate
InChI=1SC22H20N2O7c1330181213(51017(18)25)111619(26)2322(29)24(20(16)27)158614(7915)21(28)3142h51225H34H212H3(H232629)b1611
MFCD00576197
ZINC000001225728
ZINC01225728
ZINC1225728

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Available files

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