Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-5-bromo-6-fluoro-3-hydroxy-20-oxo-16,17-epoxypregnan-21-yl acetate
Catalog ID
STL525410
SMILES OC1CC[C@]2([C@@](C1)(Br)C(F)CC1C2CC[C@]2(C1C[C@@H]1[C@]2(O1)C(=O)COC(=O)C)C)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 C23H32BrFO5 MW 487.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32BrFO5/c1-12(26)29-11-18(28)23-19(30-23)9-16-14-8-17(25)22(24)10-13(27)4-6-20(22,2)15(14)5-7-21(16,23)3/h13-17,19,27H,4-11H2,1-3H3/t13?,14?,15?,16?,17?,19-,20-,21+,22+,23-/m1/s1InChIKey
KUOJQAZLNDYULZ-UTFSVINISA-NSynonyms
(2((4~(R)6~(S)7~(S)11~(R)16~(R))16bromo17fluoro14hydroxy711dimethyl5oxapentacyclo(8800^(27)0^(46)0^(1116))octadecan6yl)2oxoethyl)acetate
(5alpha8xi9xi14xi16alpha)5bromo6fluoro3hydroxy20oxo1617epoxypregnan21ylacetate
135639055
2((2aR4R6aR6bS8aS8bS9aR10aS10bS)2abromo2fluoro4hydroxy6a8adimethylhexadecahydro1Hnaphtho(2145)indeno(12b)oxiren8byl)2oxoethylacetate
InChI=1SC23H32BrFO5c112(26)291118(28)2319(3023)91614817(25)22(24)1013(27)4620(222)15(14)5721(1623)3h13171927H411H213H3t13?14?15?16?17?192021+22+23m1s1
MFCD01546959
O(C@@H)1CC(C@)2((C@@)(C1)(Br)C(F)C(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@@H)1(C@)2(O1)C(=O)COC(=O)C)C)C
ZINC001772491906
ZINC001772491913
Check stock
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Check stock on Vitas-MAvailable files
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