Vitas-M small molecule compound

dibenzyl 2,6-dimethyl-4-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK810477
SMILES CCCOc1ccc(c(c1)C)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 C42H41N3O5 MW 667.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H41N3O5/c1-5-23-48-34-21-22-35(28(2)24-34)40-36(25-45(44-40)33-19-13-8-14-20-33)39-37(41(46)49-26-31-15-9-6-10-16-31)29(3)43-30(4)38(39)42(47)50-27-32-17-11-7-12-18-32/h6-22,24-25,39,43H,5,23,26-27H2,1-4H3
InChIKey
LWMJEQQRJLIOPD-UHFFFAOYSA-N
Synonyms

CCCOC1=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)C
dibenzyl26dimethyl4(3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIBENZYL26DIMETHYL4(3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC42H41N3O5c15234834212235(28(2)2434)4036(2545(4440)3319138142033)3937(41(46)4926311596101631)29(3)4330(4)38(39)42(47)50273217117121832h62224253943H5232627H214H3
MFCD04477550
ZINC000098047084
ZINC98047084

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Available files

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