Vitas-M small molecule compound
(5alpha,8xi,9xi,10xi,13xi,14xi,17beta)-17-({4-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]-2,6-diphenylpyridinium-1-yl}methyl)-5-methylandrostan-17-ol
Catalog ID
STL581447
SMILES CC12CCC3C(C1CC[C@@]2(O)C[n+]1c(cc(cc1c1ccccc1)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1)c1ccccc1)CC[C@@]1(C3(C)CCCC1)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 C59H64N3O MW 831.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C59H64N3O/c1-56-33-16-17-34-57(56,2)50-31-36-58(3)51(49(50)30-35-56)32-37-59(58,63)41-61-53(44-20-10-5-11-21-44)38-47(39-54(61)45-22-12-6-13-23-45)42-26-28-48(29-27-42)62-55(46-24-14-7-15-25-46)40-52(60-62)43-18-8-4-9-19-43/h4-15,18-29,38-39,49-5InChIKey
VKHLEGAJDXUZGQ-GHBFYKSWSA-NSynonyms
(5alpha8xi9xi10xi13xi14xi17beta)17((4(4(35diphenyl45dihydro1Hpyrazol1yl)phenyl)26diphenylpyridinium1yl)methyl)5methylandrostan17ol
4(4(35diphenyl45dihydro1Hpyrazol1yl)phenyl)1(((5R17S)17hydroxy51013trimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)methyl)26diphenylpyridin1iumperchlorate
CC12CCC3C(C1CC(C@@)2(O)C(n+)1c(cc(cc1c1ccccc1)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1)c1ccccc1)CC(C@@)1(C3(C)CCCC1)C(O)(Cl)(=O)(=O)=O
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