Vitas-M small molecule compound
di-tert-butyl 2,6-dimethyl-4-{1-phenyl-3-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK809084
SMILES O=C(C1=C(C)NC(=C(C1c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCCCC1)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 C37H46N4O6S MW 674.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N4O6S/c1-24-30(34(42)46-36(3,4)5)32(31(25(2)38-24)35(43)47-37(6,7)8)29-23-41(27-15-11-9-12-16-27)39-33(29)26-17-19-28(20-18-26)48(44,45)40-21-13-10-14-22-40/h9,11-12,15-20,23,32,38H,10,13-14,21-22H2,1-8H3InChIKey
JRBYVEAKNMSGHU-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)C(=O)OC(C)(C)C
ditertbutyl26dimethyl4(1phenyl3(4(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DITERTBUTYL26DIMETHYL4(1PHENYL3(4PIPERIDIN1YLSULFONYLPHENYL)PYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC37H46N4O6Sc12430(34(42)4636(34)5)32(31(25(2)3824)35(43)4737(67)8)292341(2715119121627)3933(29)26171928(201826)48(4445)40211310142240h911121520233238H1013142122H218H3
MFCD03461188
ZINC000098050305
ZINC98050305
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