Vitas-M small molecule compound
methyl (8xi,14xi)-21-(acetyloxy)-9-fluoro-3,20-dioxopregna-1,4,16-triene-11-carboxylate
Catalog ID
STL525748
SMILES COC(=O)C1C[C@]2(C)C(=CCC2C2[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)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 C25H29FO6 MW 444.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29FO6/c1-14(27)32-13-21(29)19-8-7-17-18-6-5-15-11-16(28)9-10-24(15,3)25(18,26)20(22(30)31-4)12-23(17,19)2/h8-11,17-18,20H,5-7,12-13H2,1-4H3/t17?,18?,20?,23-,24-,25-/m0/s1InChIKey
QJKIDXTXZKTSLZ-BOHYQTOZSA-NSynonyms
(9S10S13S)methyl17(2acetoxyacetyl)9fluoro1013dimethyl3oxo6789101112131415decahydro3Hcyclopenta(a)phenanthrene11carboxylate
16395571
COC(=O)C1C(C@)2(C)C(=CCC2C2(C@@)1(F)(C@@)1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)C
InChI=1SC25H29FO6c114(27)321321(29)1987171865151116(28)91024(153)25(1826)20(22(30)314)1223(1719)2h811171820H571213H214H3t17?18?20?232425m0s1
methyl(8xi14xi)21(acetyloxy)9fluoro320dioxopregna1416triene11carboxylate
methyl(9~(S)10~(S)13~(S))17(2acetyloxyacetyl)9fluoro1013dimethyl3oxo7811121415hexahydro6~(H)cyclopenta(a)phenanthrene11carboxylate
MFCD01545518
ZINC000070665198
ZINC000253499867
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