Vitas-M small molecule compound
methyl (8xi,14xi,16alpha)-21-(acetyloxy)-9-fluoro-16,17-dihydroxy-3,20-dioxopregna-1,4-diene-11-carboxylate
Catalog ID
STL524485
SMILES COC(=O)C1C[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)34-12-20(30)25(32)19(29)10-17-16-6-5-14-9-15(28)7-8-22(14,2)24(16,26)18(21(31)33-4)11-23(17,25)3/h7-9,16-19,29,32H,5-6,10-12H2,1-4H3/t16?,17?,18?,19-,22+,23+,24+,25+/m1/s1InChIKey
OQKUXXQTICQMSZ-NKDJDCOISA-NSynonyms
(8S9S10S11R13S14S16R17S)methyl17(2acetoxyacetyl)9fluoro1617dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthrene11carboxylate
135638949
COC(=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)341220(30)25(32)19(29)1017166514915(28)7822(142)24(1626)18(21(31)334)1123(1725)3h7916192932H561012H214H3t16?17?18?1922+23+24+25+m1s1
methyl(8xi14xi16alpha)21(acetyloxy)9fluoro1617dihydroxy320dioxopregna14diene11carboxylate
methyl(9~(S)10~(S)13~(S)16~(R)17~(S))17(2acetyloxyacetyl)9fluoro1617dihydroxy1013dimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthrene11carboxylate
MFCD01544001
ZINC001772491779
ZINC001772491782
Check stock
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Check stock on Vitas-MAvailable files
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