Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha,17alpha)-16,17-dihydroxy-3-oxoandrost-4-ene-17-carbonitrile
Catalog ID
STL524803
SMILES N#C[C@@]1(O)[C@H](O)CC2[C@]1(C)CCC1C2CCC2=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(18)6-8-19(2)16(14)10-17(23)20(19,24)11-21/h9,14-17,23-24H,3-8,10H2,1-2H3/t14?,15?,16?,17-,18+,19+,20-/m1/s1InChIKey
ZYVHLUFQSVBNFH-SCVKUDNBSA-NSynonyms
(10~(R)13~(S)16~(R)17~(R))1617dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthrene17carbonitrile
(10R13S16R17R)1617dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene17carbonitrile
(8xi9xi14xi16alpha17alpha)1617dihydroxy3oxoandrost4ene17carbonitrile
16396395
InChI=1SC20H27NO3c1187513(22)912(18)341415(18)6819(2)16(14)1017(23)20(1924)1121h914172324H3810H212H3t14?15?16?1718+19+20m1s1
MFCD01845322
N#C(C@@)1(O)(C@H)(O)CC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000070669869
ZINC000253500244
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