Vitas-M small molecule compound
dibenzyl 4-[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK810459
SMILES CCOc1ccc(cc1F)c1nn(cc1C1C(=C(C)NC(=C1C(=O)OCc1ccccc1)C)C(=O)OCc1ccccc1)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 C40H36FN3O5 MW 657.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H36FN3O5/c1-4-47-34-21-20-30(22-33(34)41)38-32(23-44(43-38)31-18-12-7-13-19-31)37-35(39(45)48-24-28-14-8-5-9-15-28)26(2)42-27(3)36(37)40(46)49-25-29-16-10-6-11-17-29/h5-23,37,42H,4,24-25H2,1-3H3InChIKey
HWVBQAWWGNMURU-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OCC4=CC=CC=C4)C)C)C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6)F
dibenzyl4(3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)26dimethyl14dihydropyridine35dicarboxylate
DIBENZYL4(3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)26DIMETHYL14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC40H36FN3O5c144734212030(2233(34)41)3832(2344(4338)3118127131931)3735(39(45)482428148591528)26(2)4227(3)36(37)40(46)49252916106111729h5233742H42425H213H3
MFCD03506790
ZINC000098047074
ZINC98047074
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