Vitas-M small molecule compound
3-[(2-chloro-4-{(E)-[1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK170810
SMILES Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)Cl)OCc2cccc(c2)C(=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 C25H16ClFN2O6 MW 494.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClFN2O6/c26-20-12-14(4-9-21(20)35-13-15-2-1-3-16(10-15)24(32)33)11-19-22(30)28-25(34)29(23(19)31)18-7-5-17(27)6-8-18/h1-12H,13H2,(H,32,33)(H,28,30,34)/b19-11+InChIKey
UEUGRVVEYRPPLU-YBFXNURJSA-NSynonyms
3((2CHLORO4((E)(1(4FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((2CHLORO4((E)(1(4FLUOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C1=CC(=CC(=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F)Cl)C(=O)O
Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)Cl)OCc2cccc(c2)C(=O)O)C1=O
InChI=1SC25H16ClFN2O6c26201214(4921(20)35131521316(1015)24(32)33)111922(30)2825(34)29(23(19)31)187517(27)6818h112H13H2(H3233)(H283034)b1911+
MFCD03241958
ZINC000002995447
ZINC2995447
Check stock
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Check stock on Vitas-MAvailable files
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