Vitas-M small molecule compound

di-tert-butyl 2,6-dimethyl-4-{3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK810898
SMILES CC(COc1ccc(cc1)c1nn(cc1C1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C)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 C36H45N3O5 MW 599.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N3O5/c1-22(2)21-42-27-18-16-25(17-19-27)32-28(20-39(38-32)26-14-12-11-13-15-26)31-29(33(40)43-35(5,6)7)23(3)37-24(4)30(31)34(41)44-36(8,9)10/h11-20,22,31,37H,21H2,1-10H3
InChIKey
OAVQZLKUOUAVET-UHFFFAOYSA-N
Synonyms

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4)C(=O)OC(C)(C)C
ditertbutyl26dimethyl4(3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DITERTBUTYL26DIMETHYL4(3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC36H45N3O5c122(2)214227181625(171927)3228(2039(3832)26141211131526)3129(33(40)4335(56)7)23(3)3724(4)30(31)34(41)4436(89)10h1120223137H21H2110H3
MFCD06256635
ZINC000098047108
ZINC98047108

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Available files

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