Vitas-M small molecule compound
dibenzyl 2,6-dimethyl-4-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK880903
SMILES CC1Oc2c(C1)cc(cc2)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 C41H37N3O5 MW 651.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H37N3O5/c1-26-21-32-22-31(19-20-35(32)49-26)39-34(23-44(43-39)33-17-11-6-12-18-33)38-36(40(45)47-24-29-13-7-4-8-14-29)27(2)42-28(3)37(38)41(46)48-25-30-15-9-5-10-16-30/h4-20,22-23,26,38,42H,21,24-25H2,1-3H3InChIKey
MIDYPEWJEIFHON-UHFFFAOYSA-NSynonyms
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C4C(=C(NC(=C4C(=O)OCC5=CC=CC=C5)C)C)C(=O)OCC6=CC=CC=C6)C7=CC=CC=C7
dibenzyl26dimethyl4(3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
dibenzyl26dimethyl4(3(2methyl23dihydro1benzofuran5yl)1phenylpyrazol4yl)14dihydropyridine35dicarboxylate
InChI=1SC41H37N3O5c12621322231(192035(32)4926)3934(2344(4339)3317116121833)3836(40(45)472429137481429)27(2)4228(3)37(38)41(46)4825301595101630h4202223263842H212425H213H3
MFCD03513453
ZINC000150482724
ZINC000150482728
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