Vitas-M small molecule compound
(8xi,14xi,16alpha)-9-fluoro-16-methyl-3,20-dioxopregna-1,4-diene-11,17,21-triyl tributanoate
Catalog ID
STL565033
SMILES CCCC(=O)O[C@@]1([C@H](C)CC2[C@]1(C)CC(OC(=O)CCC)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F)C(=O)COC(=O)CCC
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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 C34H47FO8 MW 602.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H47FO8/c1-7-10-28(38)41-20-26(37)34(43-30(40)12-9-3)21(4)17-25-24-14-13-22-18-23(36)15-16-31(22,5)33(24,35)27(19-32(25,34)6)42-29(39)11-8-2/h15-16,18,21,24-25,27H,7-14,17,19-20H2,1-6H3/t21-,24?,25?,27?,31+,32+,33+,34+/m1/s1InChIKey
QKTADHMUJJPNMQ-DTIVASJPSA-NSynonyms
(2((9R10S13S16R17R)1117di(butanoyloxy)9fluoro101316trimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)butanoate
(8S9R10S11S13S14S16R17R)17(2(butyryloxy)acetyl)9fluoro101316trimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthrene1117diyldibutyrate
(8xi14xi16alpha)9fluoro16methyl320dioxopregna14diene111721triyltributanoate
44662726
CCCC(=O)O(C@@)1((C@H)(C)C(C@@H)2(C@)1(C)C(C@H)(OC(=O)CCC)(C@)1((C@H)2CCC2=CC(=O)C=C(C@)12C)F)C(=O)COC(=O)CCC
InChI=1SC34H47FO8c171028(38)412026(37)34(4330(40)1293)21(4)1725241413221823(36)151631(225)33(2435)27(1932(2534)6)4229(39)1182h15161821242527H714171920H216H3t2124?25?27?31+32+33+34+m1s1
ZINC000253506169
ZINC000253506179
Check stock
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Check stock on Vitas-MAvailable files
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