Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl propanoate
Catalog ID
STL524619
SMILES CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
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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 C24H32O6 MW 416.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32O6/c1-4-20(28)30-13-19(27)24(29)10-8-17-16-6-5-14-11-15(25)7-9-22(14,2)21(16)18(26)12-23(17,24)3/h7,9,11,16-18,21,26,29H,4-6,8,10,12-13H2,1-3H3/t16?,17?,18?,21?,22-,23-,24-/m0/s1InChIKey
KYJGQLUNABFGGK-ALEFOCIBSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)propanoate
(8xi9xi14xi)1117dihydroxy320dioxopregna14dien21ylpropanoate
44667461
InChI=1SC24H32O6c1420(28)301319(27)24(29)108171665141115(25)7922(142)21(16)18(26)1223(1724)3h79111618212629H468101213H213H3t16?17?18?21?222324m0s1
MFCD01546859
ZINC000017045283
ZINC000253501589
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