Vitas-M small molecule compound
(8xi,14xi)-9-fluoro-3,20-dioxopregna-1,4,16-triene-11,21-diyl diacetate
Catalog ID
STL525894
SMILES CC(=O)OC1C[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)31-13-21(30)20-8-7-18-19-6-5-16-11-17(29)9-10-24(16,4)25(19,26)22(32-15(2)28)12-23(18,20)3/h8-11,18-19,22H,5-7,12-13H2,1-4H3/t18?,19?,22?,23-,24-,25-/m0/s1InChIKey
VWUYCCFTZNMQOR-VLCSLXAUSA-NSynonyms
(2((9~(R)10~(S)13~(S))11acetyloxy9fluoro1013dimethyl3oxo7811121415hexahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi14xi)9fluoro320dioxopregna1416triene1121diyldiacetate
16396123
2((9R10S13S)11acetoxy9fluoro1013dimethyl3oxo6789101112131415decahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)OC1C(C@)2(C)C(=CCC2C2(C@@)1(F)(C@@)1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)C
InChI=1SC25H29FO6c114(27)311321(30)2087181965161117(29)91024(164)25(1926)22(3215(2)28)1223(1820)3h811181922H571213H214H3t18?19?22?232425m0s1
MFCD01547770
ZINC000070665956
ZINC000253500093
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