Vitas-M small molecule compound

(2-ethoxy-4-{(Z)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid

Catalog ID
STK176602
SMILES CCOc1cc(ccc1OCC(=O)O)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC

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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 C22H20N2O8 MW 440.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O8/c1-3-31-18-11-13(4-9-17(18)32-12-19(25)26)10-16-20(27)23-22(29)24(21(16)28)14-5-7-15(30-2)8-6-14/h4-11H,3,12H2,1-2H3,(H,25,26)(H,23,27,29)/b16-10-
InChIKey
LZUFMFPFVCOIQB-YBEGLDIGSA-N
Synonyms

(2ETHOXY4((Z)(1(4METHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
(2ETHOXY4((Z)(4HYDROXY1(4METHOXYPHENYL)26DIOXO16DIHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
(Z)2(2ethoxy4((1(4methoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(2ETHOXY4((Z)(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC)OCC(=O)O
CCOc1cc(ccc1OCC(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC
InChI=1SC22H20N2O8c1331181113(4917(18)321219(25)26)101620(27)2322(29)24(21(16)28)145715(302)8614h411H312H212H3(H2526)(H232729)b1610
MFCD02212738
ZINC13801677

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.