Vitas-M small molecule compound

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

Catalog ID
STL526098
SMILES O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)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 C29H47NO3 MW 457.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H47NO3/c1-27(2)13-5-16-30(19-27)17-12-26(32)33-21-10-14-28(3)20(18-21)6-7-22-23-8-9-25(31)29(23,4)15-11-24(22)28/h20-24H,5-19H2,1-4H3/t20-,21?,22?,23?,24?,28-,29-/m0/s1
InChIKey
GIIVITVBAYMKJG-GUDIMDJKSA-N
Synonyms

((5~(S)10~(S)13~(S))1013dimethyl17oxo1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)3(33dimethylpiperidin1yl)propanoate
(3S5S8R9S10S13S14S)1013dimethyl17oxohexadecahydro1Hcyclopenta(a)phenanthren3yl3(33dimethylpiperidin1yl)propanoate
(5alpha8xi9xi14xi)17oxoandrostan3yl3(33dimethylpiperidin1yl)propanoate
135639126
InChI=1SC29H47NO3c127(2)1351630(1927)171226(32)3321101428(3)20(1821)6722238925(31)29(234)151124(22)28h2024H519H214H3t2021?22?23?24?2829m0s1
MFCD02925712
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)CCN1CCCC(C1)(C)C
ZINC000504550854
ZINC001772492023

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Available files

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