Vitas-M small molecule compound
ethyl 4-[(4Z)-4-(3-bromo-4-methoxybenzylidene)-3-hydroxy-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STL509164
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(c(c2)Br)OC)/C1=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 C20H17BrN2O5 MW 445.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5/c1-3-28-20(26)13-5-7-14(8-6-13)23-19(25)15(18(24)22-23)10-12-4-9-17(27-2)16(21)11-12/h4-11H,3H2,1-2H3,(H,22,24)/b15-10-InChIKey
PRLWYFMHOJEUAU-GDNBJRDFSA-NSynonyms
2253739
ethyl4((4~(Z))4((3bromo4methoxyphenyl)methylidene)35dioxopyrazolidin1yl)benzoate
ETHYL4((4Z)4((3BROMO4METHOXYPHENYL)METHYLIDENE)35DIOXOPYRAZOLIDIN1YL)BENZOATE
ethyl4((4Z)4(3bromo4methoxybenzylidene)3hydroxy5oxo45dihydro1Hpyrazol1yl)benzoate
InChI=1SC20H17BrN2O5c132820(26)135714(8613)2319(25)15(18(24)2223)10124917(272)16(21)1112h411H3H212H3(H2224)b1510
MFCD31657824
ZINC000006492059
ZINC6492059
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