Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-3,17-dioxoandrostane-5-carbonitrile
Catalog ID
STL525966
SMILES N#C[C@]12CCC3C([C@@]2(C)CCC(=O)C1)CC[C@]1(C3CCC1=O)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 C20H27NO2 MW 313.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO2/c1-18-8-7-16-14(15(18)3-4-17(18)23)6-10-20(12-21)11-13(22)5-9-19(16,20)2/h14-16H,3-11H2,1-2H3/t14?,15?,16?,18-,19+,20-/m0/s1InChIKey
JLTXGDODGVGDDX-YEDVKPHSSA-NSynonyms
(5~(R)10~(R)13~(S))1013dimethyl317dioxo12467891112141516dodecahydrocyclopenta(a)phenanthrene5carbonitrile
(5alpha8xi9xi14xi)317dioxoandrostane5carbonitrile
(5R10R13S)1013dimethyl317dioxohexadecahydro1Hcyclopenta(a)phenanthrene5carbonitrile
16395795
InChI=1SC20H27NO2c118871614(15(18)3417(18)23)61020(1221)1113(22)5919(1620)2h1416H311H212H3t14?15?16?1819+20m0s1
MFCD01546401
N#C(C@)12CCC3C((C@@)2(C)CCC(=O)C1)CC(C@)1(C3CCC1=O)C
ZINC000004026134
ZINC000253499557
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