Vitas-M small molecule compound
(2-chloro-4-{(Z)-[1-(4-hydroxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetic acid
Catalog ID
STL484719
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)O)cc(c1OCC(=O)O)Cl
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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 C20H15ClN2O8 MW 446.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O8/c1-30-15-8-10(7-14(21)17(15)31-9-16(25)26)6-13-18(27)22-20(29)23(19(13)28)11-2-4-12(24)5-3-11/h2-8,24H,9H2,1H3,(H,25,26)(H,22,27,29)/b13-6-InChIKey
YAFXYFSWFITJGU-MLPAPPSSSA-NSynonyms
(2chloro4((Z)(1(4hydroxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)6methoxyphenoxy)aceticacid
2(2chloro4((Z)(1(4hydroxyphenyl)246trioxo13diazinan5ylidene)methyl)6methoxyphenoxy)aceticacid
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)O)Cl)OCC(=O)O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)O)cc(c1OCC(=O)O)Cl
InChI=1SC20H15ClN2O8c13015810(714(21)17(15)31916(25)26)61318(27)2220(29)23(19(13)28)112412(24)5311h2824H9H21H3(H2526)(H222729)b136
MFCD30713669
ZINC000033456301
ZINC33456301
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