Vitas-M small molecule compound
(8xi,14xi,16alpha)-9-fluoro-16,17-dihydroxy-3,20-dioxopregna-1,4-diene-11,21-diyl diacetate
Catalog ID
STL525850
SMILES CC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)COC(=O)C)O
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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 C25H31FO8 MW 478.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)19(30)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)21(34-14(2)28)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17?,18?,19-,21?,22+,23+,24+,25+/m1/s1InChIKey
GUCAKFHFJFTIBZ-ANBSFHEHSA-NSynonyms
(2((9~(R)10~(S)13~(S)16~(R)17~(S))11acetyloxy9fluoro1617dihydroxy1013dimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi14xi16alpha)9fluoro1617dihydroxy320dioxopregna14diene1121diyldiacetate
135639096
2((8S9R10S11S13S14S16R17S)11acetoxy9fluoro1617dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)O(C@H)1C(C@@)2(C)(C@H)((C@H)3(C@@)1(F)(C@@)1(C)C=CC(=O)C=C1CC3)C(C@H)((C@)2(O)C(=O)COC(=O)C)O
InChI=1SC25H31FO8c113(27)331220(31)25(32)19(30)1018176515916(29)7822(153)24(1726)21(3414(2)28)1123(1825)4h791719213032H561012H214H3t17?18?1921?22+23+24+25+m1s1
MFCD01545194
ZINC000008837349
ZINC001772491859
Check stock
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Check stock on Vitas-MAvailable files
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