Vitas-M small molecule compound
2-(4-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STL388612
SMILES CC(C(=O)O)Oc1ccc(cc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1F
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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 C20H15FN2O5S MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN2O5S/c1-11(19(26)27)28-13-8-6-12(7-9-13)10-14-17(24)22-20(29)23(18(14)25)16-5-3-2-4-15(16)21/h2-11H,1H3,(H,26,27)(H,22,24,29)/b14-10+InChIKey
FHUOOGQPCVJXJG-GXDHUFHOSA-NSynonyms
2(4((E)(1(2fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)propanoicacid
2(4((E)(1(2fluorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)propanoicacid
CC(C(=O)O)OC1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F
CC(C(=O)O)Oc1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
InChI=1SC20H15FN2O5Sc111(19(26)27)28138612(7913)101417(24)2220(29)23(18(14)25)16532415(16)21h211H1H3(H2627)(H222429)b1410+
MFCD02788950
ZINC000059248956
ZINC000059248958
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