Vitas-M small molecule compound
(8xi,14xi,16alpha)-9-fluoro-17,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-11-yl butanoate
Catalog ID
STL525394
SMILES CCCC(=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 C26H35FO6 MW 462.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35FO6/c1-5-6-22(31)33-21-13-24(4)19(11-15(2)26(24,32)20(30)14-28)18-8-7-16-12-17(29)9-10-23(16,3)25(18,21)27/h9-10,12,15,18-19,21,28,32H,5-8,11,13-14H2,1-4H3/t15-,18?,19?,21?,23+,24+,25+,26+/m1/s1InChIKey
PRPXCRUSCCGVNS-VAGOIQPCSA-NSynonyms
((9~(R)10~(S)13~(S)16~(R)17~(R))9fluoro17hydroxy17(2hydroxyacetyl)101316trimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren11yl)butanoate
(8S9R10S11S13S14S16R17R)9fluoro17hydroxy17(2hydroxyacetyl)101316trimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren11ylbutyrate
(8xi14xi16alpha)9fluoro1721dihydroxy16methyl320dioxopregna14dien11ylbutanoate
135639054
CCCC(=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=1SC26H35FO6c15622(31)33211324(4)19(1115(2)26(2432)20(30)1428)1887161217(29)91023(163)25(1821)27h91012151819212832H58111314H214H3t1518?19?21?23+24+25+26+m1s1
MFCD01081416
ZINC000118923583
ZINC001772491647
Check stock
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Check stock on Vitas-MAvailable files
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