Vitas-M small molecule compound

(4-{(E)-[1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid

Catalog ID
STK177162
SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)OC)OCC(=O)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 C22H20N2O8 MW 440.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O8/c1-3-31-15-7-5-14(6-8-15)24-21(28)16(20(27)23-22(24)29)10-13-4-9-17(18(11-13)30-2)32-12-19(25)26/h4-11H,3,12H2,1-2H3,(H,25,26)(H,23,27,29)/b16-10+
InChIKey
ZNGKQLTXXYDTNC-MHWRWJLKSA-N
Synonyms

(4((E)(1(4ETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
(4((E)(1(4ETHOXYPHENYL)2HYDROXY46DIOXO16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
(E)2(4((1(4ethoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)aceticacid
2(4((E)(1(4ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)OC)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)OC)OCC(=O)O)C1=O
InChI=1SC22H20N2O8c1331157514(6815)2421(28)16(20(27)2322(24)29)10134917(18(1113)302)321219(25)26h411H312H212H3(H2526)(H232729)b1610+
MFCD02111892
ZINC8743517

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Available files

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