Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl 3-(3,3-dimethylpiperidin-1-yl)propanoate
Catalog ID
STL526905
SMILES O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)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 C31H49NO3 MW 483.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H49NO3/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/h9,22-24,26-27H,6-8,10-20H2,1-5H3/t22-,23?,24?,26?,27?,30-,31+/m0/s1InChIKey
SKYIWOGZYIRINV-RIUFUEKQSA-NSynonyms
((5~(S)10~(S)13~(S))17acetyl1013dimethyl2345678911121415dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3(33dimethylpiperidin1yl)propanoate
(5alpha8xi9xi14xi)20oxopregn16en3yl3(33dimethylpiperidin1yl)propanoate
(5S10S13S)17acetyl1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren3yl3(33dimethylpiperidin1yl)propanoatehydrochloride
16397398
InChI=1SC31H49NO3c121(33)25910262487221923(111530(224)27(24)121631(2526)5)3528(34)1318321761429(23)2032h922242627H681020H215H3t2223?24?26?27?3031+m0s1
MFCD03005788
O=C(OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CC=C2C(=O)C)C)C)CCN1CCCC(C1)(C)CCl
ZINC000012660506
ZINC000253531185
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