Vitas-M small molecule compound

(8xi,9xi,14xi,17alpha)-17-hydroxy-3,11-dioxoandrost-4-ene-17-carbonitrile

Catalog ID
STL526160
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 C20H25NO3 MW 327.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO3/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/h9,14-15,17,24H,3-8,10H2,1-2H3/t14?,15?,17?,18-,19-,20-/m0/s1
InChIKey
JHNKMSMCNITKIH-AOXDDGFVSA-N
Synonyms

(10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthrene17carbonitrile
(10R13S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene17carbonitrile
(8xi9xi14xi17alpha)17hydroxy311dioxoandrost4ene17carbonitrile
16395980
InChI=1SC20H25NO3c1187513(22)912(18)3414156820(241121)19(152)1016(23)17(14)18h914151724H3810H212H3t14?15?17?181920m0s1
MFCD01083776
N#C(C@@)1(O)CCC2(C@)1(C)CC(=O)C1C2CCC2=CC(=O)CC(C@)12C
ZINC000070665758
ZINC000253499556

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Available files

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