Vitas-M small molecule compound
3-({2-chloro-4-[(E)-(3-hydroxy-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STL505612
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)O)cc(c1OCc1cccc(c1)C(=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 C25H19ClN2O6 MW 478.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O6/c1-33-21-13-16(11-19-23(29)27-28(24(19)30)18-8-3-2-4-9-18)12-20(26)22(21)34-14-15-6-5-7-17(10-15)25(31)32/h2-13H,14H2,1H3,(H,27,29)(H,31,32)/b19-11+InChIKey
HAUDUWDZFXGUFR-YBFXNURJSA-NSynonyms
1283193
3((2chloro4((~(E))(35dioxo1phenylpyrazolidin4ylidene)methyl)6methoxyphenoxy)methyl)benzoicacid
3((2CHLORO4((E)(35DIOXO1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZOICACID
3((2chloro4((E)(3hydroxy5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)6methoxyphenoxy)methyl)benzoicacid
InChI=1SC25H19ClN2O6c133211316(111923(29)2728(24(19)30)188324918)1220(26)22(21)34141565717(1015)25(31)32h213H14H21H3(H2729)(H3132)b1911+
MFCD31538865
ZINC000009233978
ZINC9233978
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