Vitas-M small molecule compound
(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl 4-oxo-4-[(pyridin-3-ylmethyl)amino]butanoate
Catalog ID
STL526178
SMILES O=C(NCc1cccnc1)CCC(=O)OC1CCC2[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 C29H38N2O4 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O4/c1-28-13-11-21(32)16-20(28)5-6-22-23-7-8-25(29(23,2)14-12-24(22)28)35-27(34)10-9-26(33)31-18-19-4-3-15-30-17-19/h3-4,15-17,22-25H,5-14,18H2,1-2H3,(H,31,33)/t22?,23?,24?,25?,28-,29-/m0/s1InChIKey
RYPQXZVEPYOORM-WEZGQCIMSA-NSynonyms
((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)4oxo4(pyridin3ylmethylamino)butanoate
(8R9S10R13S14S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl4oxo4((pyridin3ylmethyl)amino)butanoate
(8xi9xi14xi)3oxoandrost4en17yl4oxo4((pyridin3ylmethyl)amino)butanoate
135639139
InChI=1SC29H38N2O4c128131121(32)1620(28)5622237825(29(232)141224(22)28)3527(34)10926(33)3118194315301719h3415172225H51418H212H3(H3133)t22?23?24?25?2829m0s1
MFCD02925875
O=C(NCc1cccnc1)CCC(=O)OC1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000504439818
ZINC001772492084
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