Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-16-bromo-17-oxoandrostan-3-yl acetate
Catalog ID
STL525964
SMILES CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H](C2=O)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)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14?,15?,16?,17?,18+,20-,21-/m0/s1InChIKey
VJGLIYQCQCELBZ-ULDSNFROSA-NSynonyms
((5~(S)10~(S)13~(S)16~(R))16bromo1013dimethyl17oxo1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(5alpha8xi9xi14xi16alpha)16bromo17oxoandrostan3ylacetate
(5S10S13S16R)16bromo1013dimethyl17oxohexadecahydro1Hcyclopenta(a)phenanthren3ylacetate
16395154
CC(=O)OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1C(C@H)(C2=O)Br)C)C
InChI=1SC21H31BrO3c112(23)25146820(2)13(1014)451516(20)7921(3)17(15)1118(22)19(21)24h1318H411H213H3t1314?15?16?17?18+2021m0s1
MFCD01543830
ZINC000012653186
ZINC000253500056
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