Vitas-M small molecule compound
{2-[(E)-{1-[2-(4-fluorophenyl)ethyl]-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]phenoxy}acetic acid
Catalog ID
STL038128
SMILES OC(=O)COc1ccccc1/C=C/1\C(=O)N=C(N(C1=O)CCc1ccc(cc1)F)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 C21H17FN2O6 MW 412.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN2O6/c22-15-7-5-13(6-8-15)9-10-24-20(28)16(19(27)23-21(24)29)11-14-3-1-2-4-17(14)30-12-18(25)26/h1-8,11H,9-10,12H2,(H,25,26)(H,23,27,29)/b16-11+InChIKey
JFXJLGZXFZYGEL-LFIBNONCSA-NSynonyms
(2((E)(1(2(4fluorophenyl)ethyl)2hydroxy46dioxo16dihydropyrimidin5(4H)ylidene)methyl)phenoxy)aceticacid
2(2((E)(1(2(4FLUOROPHENYL)ETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
C1=CC=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F)OCC(=O)O
InChI=1SC21H17FN2O6c22157513(6815)9102420(28)16(19(27)2321(24)29)1114312417(14)301218(25)26h1811H91012H2(H2526)(H232729)b1611+
MFCD03810370
OC(=O)COc1ccccc1C=C1C(=O)N=C(N(C1=O)CCc1ccc(cc1)F)O
ZINC000001156163
ZINC1156163
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