Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-17-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-11,21-diyl diacetate
Catalog ID
STL524857
SMILES CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)COC(=O)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 C26H34O7 MW 458.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34O7/c1-14-10-20-19-7-6-17-11-18(29)8-9-24(17,4)23(19)21(33-16(3)28)12-25(20,5)26(14,31)22(30)13-32-15(2)27/h8-9,11,14,19-21,23,31H,6-7,10,12-13H2,1-5H3/t14-,19?,20?,21?,23?,24+,25+,26+/m1/s1InChIKey
JYPMSJITQKQQAN-IELGNEEFSA-NSynonyms
(2((10~(R)13~(S)16~(R)17~(R))11acetyloxy17hydroxy101316trimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi14xi16alpha)17hydroxy16methyl320dioxopregna14diene1121diyldiacetate
2((8S9S10R11S13S14S16R17R)11acetoxy17hydroxy101316trimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
75366899
CC(=O)O(C@H)1C(C@@)2(C)(C@H)((C@H)3(C@H)1(C@@)1(C)C=CC(=O)C=C1CC3)C(C@H)((C@)2(O)C(=O)COC(=O)C)C
InChI=1SC26H34O7c11410201976171118(29)8924(174)23(19)21(3316(3)28)1225(205)26(1431)22(30)133215(2)27h89111419212331H67101213H215H3t1419?20?21?23?24+25+26+m1s1
MFCD01545421
ZINC000253534189
ZINC000253534192
Check stock
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Check stock on Vitas-MAvailable files
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