Vitas-M small molecule compound
methyl (8xi,14xi)-17,21-bis(acetyloxy)-9-fluoro-3,20-dioxopregna-1,4-diene-11-carboxylate
Catalog ID
STL525911
SMILES COC(=O)C1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(OC(=O)C)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 C27H33FO8 MW 504.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33FO8/c1-15(29)35-14-22(32)26(36-16(2)30)11-9-19-20-7-6-17-12-18(31)8-10-24(17,3)27(20,28)21(23(33)34-5)13-25(19,26)4/h8,10,12,19-21H,6-7,9,11,13-14H2,1-5H3/t19?,20?,21?,24-,25-,26-,27-/m0/s1InChIKey
CTIBLZWMABUHFY-FYIJLECHSA-NSynonyms
(8S9S10S11R13S14S17R)methyl17acetoxy17(2acetoxyacetyl)9fluoro1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthrene11carboxylate
75366900
COC(=O)(C@H)1C(C@@)2(C)(C@H)((C@H)3(C@@)1(F)(C@@)1(C)C=CC(=O)C=C1CC3)CC(C@)2(OC(=O)C)C(=O)COC(=O)C
InChI=1SC27H33FO8c115(29)351422(32)26(3616(2)30)119192076171218(31)81024(173)27(2028)21(23(33)345)1325(1926)4h810121921H679111314H215H3t19?20?21?24252627m0s1
methyl(8xi14xi)1721bis(acetyloxy)9fluoro320dioxopregna14diene11carboxylate
methyl(9~(S)10~(S)13~(S)17~(R))17acetyloxy17(2acetyloxyacetyl)9fluoro1013dimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthrene11carboxylate
MFCD01544813
ZINC000118930594
ZINC000253534178
Check stock
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Check stock on Vitas-MAvailable files
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