Vitas-M small molecule compound
(8xi,14xi,16alpha)-9-fluoro-16-methyl-3,20-dioxopregna-1,4-diene-11,17,21-triyl triacetate
Catalog ID
STL525517
SMILES CC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(OC(=O)C)C(=O)COC(=O)C)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 C28H35FO8 MW 518.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35FO8/c1-15-11-22-21-8-7-19-12-20(33)9-10-25(19,5)27(21,29)24(36-17(3)31)13-26(22,6)28(15,37-18(4)32)23(34)14-35-16(2)30/h9-10,12,15,21-22,24H,7-8,11,13-14H2,1-6H3/t15-,21?,22?,24?,25+,26+,27+,28+/m1/s1InChIKey
VLPVMWBPYOMWEP-TUDKXVLXSA-NSynonyms
(2((9~(R)10~(S)13~(S)16~(R)17~(R))1117diacetyloxy9fluoro101316trimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8S9R10S11S13S14S16R17R)17(2acetoxyacetyl)9fluoro101316trimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthrene1117diyldiacetate
(8xi14xi16alpha)9fluoro16methyl320dioxopregna14diene111721triyltriacetate
75366863
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)C(C@H)((C@)2(OC(=O)C)C(=O)COC(=O)C)C
InChI=1SC28H35FO8c11511222187191220(33)91025(195)27(2129)24(3617(3)31)1326(226)28(153718(4)32)23(34)143516(2)30h9101215212224H78111314H216H3t1521?22?24?25+26+27+28+m1s1
MFCD01545126
ZINC000253533951
ZINC000253533959
Check stock
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