Vitas-M small molecule compound
dibenzyl 2,6-dimethyl-4-{3-[4-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK821075
SMILES CC1=C(C(=O)OCc2ccccc2)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)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 C42H40N4O7S MW 744.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H40N4O7S/c1-29-37(41(47)52-27-31-12-6-3-7-13-31)39(38(30(2)43-29)42(48)53-28-32-14-8-4-9-15-32)36-26-46(34-16-10-5-11-17-34)44-40(36)33-18-20-35(21-19-33)54(49,50)45-22-24-51-25-23-45/h3-21,26,39,43H,22-25,27-28H2,1-2H3InChIKey
SOWSNHUFCLMEKI-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7
dibenzyl26dimethyl4(3(4(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIBENZYL26DIMETHYL4(3(4MORPHOLIN4YLSULFONYLPHENYL)1PHENYLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC42H40N4O7Sc12937(41(47)522731126371331)39(38(30(2)4329)42(48)532832148491532)362646(3416105111734)4440(36)33182035(211933)54(4950)45222451252345h321263943H22252728H212H3
MFCD03088674
ZINC000150448715
ZINC150448715
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