Vitas-M small molecule compound
(8xi,14xi)-9-fluoro-11-hydroxy-3,20-dioxopregna-1,4,16-trien-21-yl acetate
Catalog ID
STL566179
SMILES CC(=O)OCC(=O)C1=CCC2[C@]1(C)CC(O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F
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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 C23H27FO5 MW 402.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27FO5/c1-13(25)29-12-19(27)18-7-6-16-17-5-4-14-10-15(26)8-9-22(14,3)23(17,24)20(28)11-21(16,18)2/h7-10,16-17,20,28H,4-6,11-12H2,1-3H3/t16?,17?,20?,21-,22-,23-/m0/s1InChIKey
YVPGZUWNVLRAKT-XLSOAHDVSA-NSynonyms
(2((9R10S13S)9fluoro11hydroxy1013dimethyl3oxo7811121415hexahydro6Hcyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi14xi)9fluoro11hydroxy320dioxopregna1416trien21ylacetate
16395135
2((9R10S13S)9fluoro11hydroxy1013dimethyl3oxo6789101112131415decahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)OCC(=O)C1=CCC2(C@)1(C)CC(O)(C@)1(C2CCC2=CC(=O)C=C(C@)12C)F
InChI=1SC23H27FO5c113(25)291219(27)1876161754141015(26)8922(143)23(1724)20(28)1121(1618)2h71016172028H461112H213H3t16?17?20?212223m0s1
ZINC000070664633
ZINC000253500194
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