Vitas-M small molecule compound
(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl 4-oxo-4-[(pyridin-4-ylmethyl)amino]butanoate
Catalog ID
STL526939
SMILES O=C(NCc1ccncc1)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/c1-28-13-9-21(32)17-20(28)3-4-22-23-5-6-25(29(23,2)14-10-24(22)28)35-27(34)8-7-26(33)31-18-19-11-15-30-16-12-19/h11-12,15-17,22-25H,3-10,13-14,18H2,1-2H3,(H,31,33)/t22?,23?,24?,25?,28-,29-/m0/s1InChIKey
JGJQZNDVUNQLFZ-WEZGQCIMSA-NSynonyms
((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)4oxo4(pyridin4ylmethylamino)butanoate
(10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl4oxo4((pyridin4ylmethyl)amino)butanoate
(8xi9xi14xi)3oxoandrost4en17yl4oxo4((pyridin4ylmethyl)amino)butanoate
16397361
InChI=1SC29H38N2O4c12813921(32)1720(28)3422235625(29(232)141024(22)28)3527(34)8726(33)311819111530161219h111215172225H310131418H212H3(H3133)t22?23?24?25?2829m0s1
MFCD03005658
O=C(NCc1ccncc1)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000008964732
ZINC000253499544
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