Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-16-bromo-17-hydroxypregnane-3,20-dione
Catalog ID
STL566122
SMILES O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC([C@]2(O)C(=O)C)Br)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 C21H31BrO3 MW 411.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31BrO3/c1-12(23)21(25)18(22)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h13,15-18,25H,4-11H2,1-3H3/t13-,15?,16?,17?,18?,19-,20-,21+/m0/s1InChIKey
MSDUIUROIVNMLS-MGHAMAKZSA-NSynonyms
(5alpha8xi9xi14xi)16bromo17hydroxypregnane320dione
(5S10S13S17R)17acetyl16bromo17hydroxy1013dimethyl24567891112141516dodecahydro1Hcyclopenta(a)phenanthren3one
(5S10S13S17R)17acetyl16bromo17hydroxy1013dimethyltetradecahydro1Hcyclopenta(a)phenanthren3(2H)one
16395427
InChI=1SC21H31BrO3c112(23)21(25)18(22)11171554131014(24)6819(132)16(15)7920(1721)3h13151825H411H213H3t1315?16?17?18?192021+m0s1
O=C1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CC((C@)2(O)C(=O)C)Br)C)C
ZINC000004024707
ZINC000253499715
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