Vitas-M small molecule compound
(8xi,9xi,14xi)-20-oxopregna-5,16-dien-3-yl 3-(piperidin-1-yl)propanoate
Catalog ID
STL525041
SMILES O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC=C2C(=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 C29H43NO3 MW 453.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H43NO3/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/h7,9,22-23,25-26H,4-6,8,10-19H2,1-3H3/t22?,23?,25?,26?,28-,29+/m0/s1InChIKey
GFSADSWYLWESJW-YEEXSBOZSA-NSynonyms
((10~(R)13~(S))17acetyl1013dimethyl23478911121415decahydro1~(H)cyclopenta(a)phenanthren3yl)3piperidin1ylpropanoate
(10R13S)17acetyl1013dimethyl234789101112131415dodecahydro1Hcyclopenta(a)phenanthren3yl3(piperidin1yl)propanoate
(8xi9xi14xi)20oxopregna516dien3yl3(piperidin1yl)propanoate
16396667
InChI=1SC29H43NO3c120(31)24910252387211922(3327(32)131830165461730)111428(212)26(23)121529(2425)3h7922232526H4681019H213H3t22?23?25?26?2829+m0s1
MFCD02057597
O=C(OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CC=C2C(=O)C)C)C1)C)CCN1CCCCC1
ZINC000002101138
ZINC000253499403
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