Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-16,17-dihydroxy-3,20-dioxopregna-1,4-diene-11,21-diyl diacetate
Catalog ID
STL525446
SMILES CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)COC(=O)C)O
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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 C25H32O8 MW 460.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O8/c1-13(26)32-12-21(30)25(31)20(29)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(33-14(2)27)11-24(18,25)4/h7-9,17-20,22,29,31H,5-6,10-12H2,1-4H3/t17?,18?,19?,20-,22?,23+,24+,25+/m1/s1InChIKey
MCXFEPIGNNTCAA-BSUVVPPISA-NSynonyms
(2((10~(R)13~(S)16~(R)17~(S))11acetyloxy1617dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi14xi16alpha)1617dihydroxy320dioxopregna14diene1121diyldiacetate
135639058
2((8S9S10R11S13S14S16R17S)11acetoxy1617dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)O(C@H)1C(C@@)2(C)(C@H)((C@H)3(C@H)1(C@@)1(C)C=CC(=O)C=C1CC3)C(C@H)((C@)2(O)C(=O)COC(=O)C)O
InChI=1SC25H32O8c113(26)321221(30)25(31)20(29)1018176515916(28)7823(153)22(17)19(3314(2)27)1124(1825)4h791720222931H561012H214H3t17?18?19?2022?23+24+25+m1s1
MFCD01544823
ZINC000254852729
ZINC001772491947
Check stock
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Check stock on Vitas-MAvailable files
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