Vitas-M small molecule compound
(4-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Catalog ID
STK191802
SMILES CCc1ccc(cc1)N1C(=S)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 C22H20N2O6S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6S/c1-3-13-4-7-15(8-5-13)24-21(28)16(20(27)23-22(24)31)10-14-6-9-17(18(11-14)29-2)30-12-19(25)26/h4-11H,3,12H2,1-2H3,(H,25,26)(H,23,27,31)/b16-10+InChIKey
SNMLDZJGIHZDMR-MHWRWJLKSA-NSynonyms
(4((E)(1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
2(4((1(4ETHYLPHENYL)46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)2METHOXYPHENOXY)ACETICACID
2(4((E)(1(4ETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)OC)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCC(=O)O)C1=O
InChI=1SC22H20N2O6Sc13134715(8513)2421(28)16(20(27)2322(24)31)10146917(18(1114)292)301219(25)26h411H312H212H3(H2526)(H232731)b1610+
MFCD02085153
ZINC000002904189
ZINC2904189
Check stock
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Check stock on Vitas-MAvailable files
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