Vitas-M small molecule compound
(8xi,14xi,16alpha)-9-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-diene-16,21-diyl diacetate
Catalog ID
STL524833
SMILES CC(=O)O[C@@H]1CC2[C@]([C@@]1(O)C(=O)COC(=O)C)(C)CC([C@]1(C2CCC2=CC(=O)C=C[C@]12C)F)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)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)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
XGMPVBXKDAHORN-UZEWPZDESA-NSynonyms
(2((9~(R)10~(S)13~(S)16~(R)17~(S))16acetyloxy9fluoro1117dihydroxy1013dimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi14xi16alpha)9fluoro1117dihydroxy320dioxopregna14diene1621diyldiacetate
135638985
2((8S9R10S11S13S14S16R17S)16acetoxy9fluoro1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)O(C@@H)1C(C@@H)2(C@)((C@@)1(O)C(=O)COC(=O)C)(C)C(C@@H)((C@)1((C@H)2CCC2=CC(=O)C=C(C@)12C)F)O
InChI=1SC25H31FO8c113(27)331220(31)25(32)21(3414(2)28)1018176515916(29)7822(153)24(1726)19(30)1123(1825)4h791719213032H561012H214H3t17?18?19?2122+23+24+25m1s1
MFCD01547444
ZINC000003882062
ZINC000009213793
Check stock
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