Vitas-M small molecule compound
dibenzyl 2,6-dimethyl-4-{3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK810891
SMILES CC(COc1ccc(cc1)c1nn(cc1C1C(=C(C)NC(=C1C(=O)OCc1ccccc1)C)C(=O)OCc1ccccc1)c1ccccc1)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 C42H41N3O5 MW 667.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H41N3O5/c1-28(2)25-48-35-22-20-33(21-23-35)40-36(24-45(44-40)34-18-12-7-13-19-34)39-37(41(46)49-26-31-14-8-5-9-15-31)29(3)43-30(4)38(39)42(47)50-27-32-16-10-6-11-17-32/h5-24,28,39,43H,25-27H2,1-4H3InChIKey
JZVYOQAOYSHSPJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)OCC(C)C)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6
dibenzyl26dimethyl4(3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIBENZYL26DIMETHYL4(3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC42H41N3O5c128(2)254835222033(212335)4036(2445(4440)3418127131934)3937(41(46)492631148591531)29(3)4330(4)38(39)42(47)50273216106111732h524283943H2527H214H3
MFCD06256632
ZINC000098047104
ZINC98047104
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