Vitas-M small molecule compound
dibenzyl 2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK800674
SMILES CCCSc1ccc(cc1)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 C41H39N3O4S MW 669.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H39N3O4S/c1-4-24-49-34-22-20-32(21-23-34)39-35(25-44(43-39)33-18-12-7-13-19-33)38-36(40(45)47-26-30-14-8-5-9-15-30)28(2)42-29(3)37(38)41(46)48-27-31-16-10-6-11-17-31/h5-23,25,38,42H,4,24,26-27H2,1-3H3InChIKey
CRQWHZULODWNRK-UHFFFAOYSA-NSynonyms
CCCSC1=CC=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
dibenzyl26dimethyl4(1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIBENZYL26DIMETHYL4(1PHENYL3(4PROPYLSULFANYLPHENYL)PYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC41H39N3O4Sc14244934222032(212334)3935(2544(4339)3318127131933)3836(40(45)472630148591530)28(2)4229(3)37(38)41(46)48273116106111731h523253842H4242627H213H3
MFCD06314307
ZINC000098045742
ZINC98045742
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