Vitas-M small molecule compound
(4E)-2-(3,4-dimethylphenyl)-5-methyl-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK037218
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc2c(c1)C(=O)OC2)c1ccc(c(c1)C)C
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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 C25H20N2O4 MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4/c1-14-4-7-19(10-15(14)2)27-24(28)21(16(3)26-27)12-20-8-9-23(31-20)17-5-6-18-13-30-25(29)22(18)11-17/h4-12H,13H2,1-3H3/b21-12+InChIKey
JQNMQXIFDUAOQK-CIAFOILYSA-NSynonyms
(4E)2(34DIMETHYLPHENYL)5METHYL4((5(3OXO13DIHYDRO2BENZOFURAN5YL)FURAN2YL)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(34DIMETHYLPHENYL)5METHYL4((5(3OXO1H2BENZOFURAN5YL)FURAN2YL)METHYLIDENE)PYRAZOL3ONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC5=C(COC5=O)C=C4)C(=N2)C)C
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc2c(c1)C(=O)OC2)c1ccc(c(c1)C)C
InChI=1SC25H20N2O4c1144719(1015(14)2)2724(28)21(16(3)2627)12208923(3120)175618133025(29)22(18)1117h412H13H213H3b2112+
MFCD01785919
STK037218
ZINC000001157702
ZINC01157702
ZINC1157702
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