Vitas-M small molecule compound
(8xi,14xi,16alpha)-9-fluoro-17,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-11-yl propanoate
Catalog ID
STL524443
SMILES CCC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)CO)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 C25H33FO6 MW 448.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33FO6/c1-5-21(30)32-20-12-23(4)18(10-14(2)25(23,31)19(29)13-27)17-7-6-15-11-16(28)8-9-22(15,3)24(17,20)26/h8-9,11,14,17-18,20,27,31H,5-7,10,12-13H2,1-4H3/t14-,17?,18?,20?,22+,23+,24+,25+/m1/s1InChIKey
OUCYFHOXWKSTGO-QKCRDDSUSA-NSynonyms
((9~(R)10~(S)13~(S)16~(R)17~(R))9fluoro17hydroxy17(2hydroxyacetyl)101316trimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren11yl)propanoate
(8S9R10S11S13S14S16R17R)9fluoro17hydroxy17(2hydroxyacetyl)101316trimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren11ylpropionate
(8xi14xi16alpha)9fluoro1721dihydroxy16methyl320dioxopregna14dien11ylpropanoate
75366888
CCC(=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(O)C(=O)CO)C
InChI=1SC25H33FO6c1521(30)32201223(4)18(1014(2)25(2331)19(29)1327)1776151116(28)8922(153)24(1720)26h8911141718202731H57101213H214H3t1417?18?20?22+23+24+25+m1s1
MFCD01082218
ZINC000118927183
ZINC000253534202
Check stock
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