Vitas-M small molecule compound
(8xi,14xi)-9-fluoro-3,20-dioxopregna-1,4-diene-11,17,21-triyl triacetate
Catalog ID
STL524651
SMILES CC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(OC(=O)C)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 C27H33FO8 MW 504.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33FO8/c1-15(29)34-14-22(33)26(36-17(3)31)11-9-20-21-7-6-18-12-19(32)8-10-24(18,4)27(21,28)23(35-16(2)30)13-25(20,26)5/h8,10,12,20-21,23H,6-7,9,11,13-14H2,1-5H3/t20?,21?,23?,24-,25-,26-,27-/m0/s1InChIKey
FFTHDBXUCIOLQT-XYPGTCEOSA-NSynonyms
(2((9~(R)10~(S)13~(S)17~(R))1117diacetyloxy9fluoro1013dimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8S9R10S11S13S14S17R)17(2acetoxyacetyl)9fluoro1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthrene1117diyldiacetate
(8xi14xi)9fluoro320dioxopregna14diene111721triyltriacetate
44667728
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)CC(C@)2(OC(=O)C)C(=O)COC(=O)C
InChI=1SC27H33FO8c115(29)341422(33)26(3617(3)31)119202176181219(32)81024(184)27(2128)23(3516(2)30)1325(2026)5h81012202123H679111314H215H3t20?21?23?24252627m0s1
MFCD01546177
ZINC000008739222
ZINC000253501551
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