Vitas-M small molecule compound
(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl 4-oxo-4-[(thiophen-2-ylmethyl)amino]butanoate
Catalog ID
STL526189
SMILES O=C(NCc1cccs1)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 C28H37NO4S MW 483.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO4S/c1-27-13-11-19(30)16-18(27)5-6-21-22-7-8-24(28(22,2)14-12-23(21)27)33-26(32)10-9-25(31)29-17-20-4-3-15-34-20/h3-4,15-16,21-24H,5-14,17H2,1-2H3,(H,29,31)/t21?,22?,23?,24?,27-,28-/m0/s1InChIKey
GHNHRYJACXZOME-UJOLWACXSA-NSynonyms
((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)4oxo4(thiophen2ylmethylamino)butanoate
(10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl4oxo4((thiophen2ylmethyl)amino)butanoate
(8xi9xi14xi)3oxoandrost4en17yl4oxo4((thiophen2ylmethyl)amino)butanoate
16397320
InChI=1SC28H37NO4Sc127131119(30)1618(27)5621227824(28(222)141223(21)27)3326(32)10925(31)29172043153420h3415162124H51417H212H3(H2931)t21?22?23?24?2728m0s1
MFCD02925903
O=C(NCc1cccs1)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000012660380
ZINC000253499404
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