Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-5-bromo-6-fluoro-3-hydroxy-16,17-dimethylpregnan-20-one
Catalog ID
STL524810
SMILES OC1CC[C@]2([C@@](C1)(Br)C(F)CC1C2CC[C@]2(C1C[C@H]([C@]2(C)C(=O)C)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 C23H36BrFO2 MW 443.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H36BrFO2/c1-13-10-18-16-11-19(25)23(24)12-15(27)6-8-21(23,4)17(16)7-9-20(18,3)22(13,5)14(2)26/h13,15-19,27H,6-12H2,1-5H3/t13-,15?,16?,17?,18?,19?,20+,21-,22-,23+/m1/s1InChIKey
AYBBUNORLTWYBV-HXXSHNDUSA-NSynonyms
(5alpha8xi9xi14xi16alpha)5bromo6fluoro3hydroxy1617dimethylpregnan20one
1((3R5R8S9S10R13S14S16R17S)5bromo6fluoro3hydroxy10131617tetramethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
1((5~(R)10~(R)13~(S)16~(R)17~(S))5bromo6fluoro3hydroxy10131617tetramethyl23467891112141516dodecahydro1~(H)cyclopenta(a)phenanthren17yl)ethanone
135638982
InChI=1SC23H36BrFO2c1131018161119(25)23(24)1215(27)6821(234)17(16)7920(183)22(135)14(2)26h13151927H612H215H3t1315?16?17?18?19?20+212223+m1s1
MFCD01547456
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)((C@)2(C)C(=O)C)C)C)C
ZINC001547212313
ZINC001547212316
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