Vitas-M small molecule compound
(8xi,9xi,14xi,17beta)-16-bromo-17-hydroxy-3-oxoandrost-4-en-17-yl acetate
Catalog ID
STL524764
SMILES O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC([C@]2(O)OC(=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 C21H29BrO4 MW 425.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29BrO4/c1-12(23)26-21(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/h10,15-18,25H,4-9,11H2,1-3H3/t15?,16?,17?,18?,19-,20-,21-/m0/s1InChIKey
MKWMKOFYJNDRLI-ZYJWKOIDSA-NSynonyms
((10~(R)13~(S)17~(R))16bromo17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)acetate
(10R13S17R)16bromo17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17ylacetate
(8xi9xi14xi17beta)16bromo17hydroxy3oxoandrost4en17ylacetate
16395549
InChI=1SC21H29BrO4c112(23)2621(25)18(22)11171554131014(24)6819(132)16(15)7920(1721)3h10151825H4911H213H3t15?16?17?18?192021m0s1
MFCD01545395
O=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC((C@)2(O)OC(=O)C)Br)C)C
ZINC000004025352
ZINC000253499703
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