Vitas-M small molecule compound
4-[(4-chloro-2-{(E)-[1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL494972
SMILES Clc1ccc(c(c1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)F)OCc1ccc(cc1)C(=O)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/c26-17-5-10-21(35-13-14-1-3-15(4-2-14)24(32)33)16(11-17)12-20-22(30)28-25(34)29(23(20)31)19-8-6-18(27)7-9-19/h1-12H,13H2,(H,32,33)(H,28,30,34)/b20-12+InChIKey
FMXUFASHEBKTRY-UDWIEESQSA-NSynonyms
4((4CHLORO2((E)(1(4FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4chloro2((E)(1(4fluorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F)C(=O)O
Clc1ccc(c(c1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)F)OCc1ccc(cc1)C(=O)O
InChI=1SC25H16ClFN2O6c261751021(3513141315(4214)24(32)33)16(1117)122022(30)2825(34)29(23(20)31)198618(27)7919h112H13H2(H3233)(H283034)b2012+
MFCD03994803
ZINC000016267378
ZINC16267378
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