Vitas-M small molecule compound
methyl 3-(5-{(Z)-[1-(4-bromophenyl)-3-hydroxy-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL383213
SMILES COC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)Br)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 C22H15BrN2O5 MW 467.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrN2O5/c1-29-22(28)14-4-2-3-13(11-14)19-10-9-17(30-19)12-18-20(26)24-25(21(18)27)16-7-5-15(23)6-8-16/h2-12H,1H3,(H,24,26)/b18-12-InChIKey
NUTPWDDHYLOWFB-PDGQHHTCSA-NSynonyms
COC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(cc1)Br)O
InChI=1SC22H15BrN2O5c12922(28)1442313(1114)1910917(3019)121820(26)2425(21(18)27)167515(23)6816h212H1H3(H2426)b1812
METHYL3(5((1(4BROMOPHENYL)35DIOXO4PYRAZOLIDINYLIDENE)METHYL)2FURYL)BENZOATE
METHYL3(5((Z)(1(4BROMOPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOATE
METHYL3(5((Z)(1(4BROMOPHENYL)3HYDROXY5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOATE
MFCD28952706
ZINC000000666641
ZINC00666641
ZINC666641
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