Vitas-M small molecule compound

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

Catalog ID
STK861997
SMILES Cc1ccc(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 C39H35N3O4 MW 609.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H35N3O4/c1-26-19-21-31(22-20-26)37-33(23-42(41-37)32-17-11-6-12-18-32)36-34(38(43)45-24-29-13-7-4-8-14-29)27(2)40-28(3)35(36)39(44)46-25-30-15-9-5-10-16-30/h4-23,36,40H,24-25H2,1-3H3
InChIKey
NDJFLFCDWIZHBS-UHFFFAOYSA-N
Synonyms

CC1=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(ptolyl)1Hpyrazol4yl)14dihydropyridine35dicarboxylate
dibenzyl26dimethyl4(3(4methylphenyl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIBENZYL26DIMETHYL4(3(4METHYLPHENYL)1PHENYLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC39H35N3O4c126192131(222026)3733(2342(4137)3217116121832)3634(38(43)452429137481429)27(2)4028(3)35(36)39(44)4625301595101630h4233640H2425H213H3
MFCD01794328
ZINC000100599005
ZINC100599005

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Available files

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