Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-yl 3-(morpholin-4-yl)propanoate
Catalog ID
STL541085
SMILES O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C)CCN1CCOCC1
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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 C26H41NO4 MW 431.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H41NO4/c1-25-10-7-19(31-24(29)9-12-27-13-15-30-16-14-27)17-18(25)3-4-20-21-5-6-23(28)26(21,2)11-8-22(20)25/h18-22H,3-17H2,1-2H3/t18-,19?,20?,21?,22?,25-,26-/m0/s1InChIKey
KAKVHSSQEBAXOC-MDKOIFJISA-NSynonyms
((5~(S)10~(S)13~(S))1013dimethyl17oxo1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)3morpholin4ylpropanoate
(3S5S8R9S10S13S14S)1013dimethyl17oxohexadecahydro1Hcyclopenta(a)phenanthren3yl3morpholinopropanoate
(5alpha8xi9xi14xi)17oxoandrostan3yl3(morpholin4yl)propanoate
135639572
InChI=1SC26H41NO4c12510719(3124(29)91227131530161427)1718(25)3420215623(28)26(212)11822(20)25h1822H317H212H3t1819?20?21?22?2526m0s1
MFCD02058494
O=C(O(C@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CCC2=O)C)C)CCN1CCOCC1
ZINC000504028238
ZINC001772492634
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