Vitas-M small molecule compound
methyl N-{(Z)-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tyrosinate
Catalog ID
STK615112
SMILES COC(=O)C(Cc1ccc(cc1)O)N/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)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 C22H21N3O7 MW 439.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O7/c1-31-16-9-5-14(6-10-16)25-20(28)17(19(27)24-22(25)30)12-23-18(21(29)32-2)11-13-3-7-15(26)8-4-13/h3-10,12,18,23,26H,11H2,1-2H3,(H,24,27,30)/b17-12-InChIKey
NGUWQSSHKAFLPM-ATVHPVEESA-NSynonyms
COC(=O)C(Cc1ccc(cc1)O)NC=C1C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O
COC1=CC=C(C=C1)N2C(=O)C(=CNC(CC3=CC=C(C=C3)O)C(=O)OC)C(=O)NC2=O
InChI=1SC22H21N3O7c131169514(61016)2520(28)17(19(27)2422(25)30)122318(21(29)322)11133715(26)8413h31012182326H11H212H3(H242730)b1712
methyl3(4hydroxyphenyl)2(((Z)(1(4methoxyphenyl)246trioxo13diazinan5ylidene)methyl)amino)propanoate
methylN((Z)(4hydroxy1(4methoxyphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)tyrosinate
MFCD08736725
ZINC000020589001
ZINC000020589004
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