Vitas-M small molecule compound
(8xi,9xi,14xi)-20-oxopregna-5,16-dien-3-yl 3-(3,3-dimethylpiperidin-1-yl)propanoate
Catalog ID
STL526155
SMILES O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC=C2C(=O)C)C)C1)C)CCN1CCCC(C1)(C)C
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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 C31H47NO3 MW 481.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H47NO3/c1-21(33)25-9-10-26-24-8-7-22-19-23(11-15-30(22,4)27(24)12-16-31(25,26)5)35-28(34)13-18-32-17-6-14-29(2,3)20-32/h7,9,23-24,26-27H,6,8,10-20H2,1-5H3/t23?,24?,26?,27?,30-,31+/m0/s1InChIKey
XRKFVYSOSJXHRG-MWJFHSLWSA-NSynonyms
((10~(R)13~(S))17acetyl1013dimethyl23478911121415decahydro1~(H)cyclopenta(a)phenanthren3yl)3(33dimethylpiperidin1yl)propanoate
(3S8R9S10R13S14S)17acetyl1013dimethyl234789101112131415dodecahydro1Hcyclopenta(a)phenanthren3yl3(33dimethylpiperidin1yl)propanoate
(8xi9xi14xi)20oxopregna516dien3yl3(33dimethylpiperidin1yl)propanoate
135639135
InChI=1SC31H47NO3c121(33)25910262487221923(111530(224)27(24)121631(2526)5)3528(34)1318321761429(23)2032h7923242627H681020H215H3t23?24?26?27?3031+m0s1
MFCD02925802
O=C(O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3CC=C2C(=O)C)C)C1)C)CCN1CCCC(C1)(C)C
ZINC001772492118
ZINC001772492121
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