Vitas-M small molecule compound
(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3-oxoandrost-4-ene-17-carbonitrile
Catalog ID
STL526192
SMILES N#C[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
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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 C20H27NO3 MW 329.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO3/c1-18-7-5-13(22)9-12(18)3-4-14-15-6-8-20(24,11-21)19(15,2)10-16(23)17(14)18/h9,14-17,23-24H,3-8,10H2,1-2H3/t14?,15?,16?,17?,18-,19-,20-/m0/s1InChIKey
SWAJIWWXRRYRDI-YAQFZYRKSA-NSynonyms
(10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthrene17carbonitrile
(10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene17carbonitrile
(8xi9xi14xi17alpha)1117dihydroxy3oxoandrost4ene17carbonitrile
16396083
InChI=1SC20H27NO3c1187513(22)912(18)3414156820(241121)19(152)1016(23)17(14)18h914172324H3810H212H3t14?15?16?17?181920m0s1
MFCD01082462
N#C(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
ZINC000252628706
ZINC000253499994
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