Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-20-oxopregn-5-en-3-yl 3-(piperidin-1-yl)propanoate
Catalog ID
STL524864
SMILES O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(=O)C)C)C1)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 C29H45NO3 MW 455.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H45NO3/c1-20(31)24-9-10-25-23-8-7-21-19-22(33-27(32)13-18-30-16-5-4-6-17-30)11-14-28(21,2)26(23)12-15-29(24,25)3/h7,22-26H,4-6,8-19H2,1-3H3/t22?,23?,24?,25?,26?,28-,29+/m0/s1InChIKey
CYXPZJSOSYXEMC-OBAIOGGSSA-NSynonyms
((10~(R)13~(S))17acetyl1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3piperidin1ylpropanoate
(10R13S)17acetyl1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3(piperidin1yl)propanoate
(8xi9xi14xi17xi)20oxopregn5en3yl3(piperidin1yl)propanoate
16396823
InChI=1SC29H45NO3c120(31)24910252387211922(3327(32)131830165461730)111428(212)26(23)121529(2425)3h72226H46819H213H3t22?23?24?25?26?2829+m0s1
MFCD02059220
O=C(OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2C(=O)C)C)C1)C)CCN1CCCCC1
ZINC000012659501
ZINC000253499178
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