Vitas-M small molecule compound

(5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-yl 3-(piperidin-1-yl)propanoate

Catalog ID
STL537745
SMILES O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C)CCN1CCCCC1

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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 C27H43NO3 MW 429.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H43NO3/c1-26-13-10-20(31-25(30)12-17-28-15-4-3-5-16-28)18-19(26)6-7-21-22-8-9-24(29)27(22,2)14-11-23(21)26/h19-23H,3-18H2,1-2H3/t19-,20?,21?,22?,23?,26-,27-/m0/s1
InChIKey
DCJVKINJRHKIHH-QCNNGXEBSA-N
Synonyms

((5~(S)10~(S)13~(S))1013dimethyl17oxo1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)3piperidin1ylpropanoate
(3S5S8R9S10S13S14S)1013dimethyl17oxohexadecahydro1Hcyclopenta(a)phenanthren3yl3(piperidin1yl)propanoate
(5alpha8xi9xi14xi)17oxoandrostan3yl3(piperidin1yl)propanoate
135639498
InChI=1SC27H43NO3c126131020(3125(30)121728154351628)1819(26)6721228924(29)27(222)141123(21)26h1923H318H212H3t1920?21?22?23?2627m0s1
MFCD02057816
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)CCN1CCCCC1
ZINC000504776093
ZINC001772492589

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Available files

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