Vitas-M small molecule compound

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

Catalog ID
STK821540
SMILES O=C(C1=C(C)NC(=C(C1c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)C(=O)OC(C)(C)C)C)OC(C)(C)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 C36H44N4O7S MW 676.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O7S/c1-23-29(33(41)46-35(3,4)5)31(30(24(2)37-23)34(42)47-36(6,7)8)28-22-40(26-12-10-9-11-13-26)38-32(28)25-14-16-27(17-15-25)48(43,44)39-18-20-45-21-19-39/h9-17,22,31,37H,18-21H2,1-8H3
InChIKey
PYMOBNPIOJNTBX-UHFFFAOYSA-N
Synonyms

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)C(=O)OC(C)(C)C
ditertbutyl26dimethyl4(3(4(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DITERTBUTYL26DIMETHYL4(3(4MORPHOLIN4YLSULFONYLPHENYL)1PHENYLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC36H44N4O7Sc12329(33(41)4635(34)5)31(30(24(2)3723)34(42)4736(67)8)282240(2612109111326)3832(28)25141627(171525)48(4344)39182045211939h917223137H1821H218H3
MFCD03088781
ZINC000150410902
ZINC150410902

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Available files

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