Vitas-M small molecule compound
(8xi,9xi,14xi)-17-oxoandrost-5-en-3-yl 3-(3,3-dimethylpiperidin-1-yl)propanoate
Catalog ID
STL526878
SMILES O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2=O)C)C1)C)CCN1CCCC(C1)(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 C29H45NO3 MW 455.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H45NO3/c1-27(2)13-5-16-30(19-27)17-12-26(32)33-21-10-14-28(3)20(18-21)6-7-22-23-8-9-25(31)29(23,4)15-11-24(22)28/h6,21-24H,5,7-19H2,1-4H3/t21?,22?,23?,24?,28-,29-/m0/s1InChIKey
ZRQKIWOCYULNCN-IIJVXSPASA-NSynonyms
((10~(R)13~(S))1013dimethyl17oxo12347891112141516dodecahydrocyclopenta(a)phenanthren3yl)3(33dimethylpiperidin1yl)propanoate
(10R13S)1013dimethyl17oxo2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3(33dimethylpiperidin1yl)propanoatehydrochloride
(8xi9xi14xi)17oxoandrost5en3yl3(33dimethylpiperidin1yl)propanoate
16397548
InChI=1SC29H45NO3c127(2)1351630(1927)171226(32)3321101428(3)20(1821)6722238925(31)29(234)151124(22)28h62124H5719H214H3t21?22?23?24?2829m0s1
MFCD03006436
O=C(OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2=O)C)C1)C)CCN1CCCC(C1)(C)CCl
ZINC000252441510
ZINC000253531208
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