Vitas-M small molecule compound
2-({4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STL418575
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=C/1\C(=O)NN(C1=O)c1ccccc1
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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 C25H19N3O4 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O4/c1-31-23-14-17(11-12-22(23)32-16-19-8-6-5-7-18(19)15-26)13-21-24(29)27-28(25(21)30)20-9-3-2-4-10-20/h2-14H,16H2,1H3,(H,27,29)/b21-13+InChIKey
OCBJOVPSBXAJBQ-FYJGNVAPSA-NSynonyms
2((4((E)(35dioxo1phenylpyrazolidin4ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
COc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC25H19N3O4c131231417(111222(23)321619865718(19)1526)132124(29)2728(25(21)30)2093241020h214H16H21H3(H2729)b2113+
MFCD01929156
ZINC000009296646
ZINC09296646
ZINC9296646
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