Vitas-M small molecule compound
(6alpha,8xi,9xi,14xi,16alpha)-17-hydroperoxy-6,16-dimethyl-3,20-dioxopregna-1,4-diene-11,21-diyl diacetate
Catalog ID
STL524870
SMILES OO[C@@]1([C@H](C)CC2[C@]1(C)CC(OC(=O)C)C1C2C[C@@H](C2=CC(=O)C=C[C@]12C)C)C(=O)COC(=O)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 C27H36O8 MW 488.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36O8/c1-14-9-19-21-10-15(2)27(35-32,23(31)13-33-16(3)28)26(21,6)12-22(34-17(4)29)24(19)25(5)8-7-18(30)11-20(14)25/h7-8,11,14-15,19,21-22,24,32H,9-10,12-13H2,1-6H3/t14-,15+,19?,21?,22?,24?,25-,26-,27-/m0/s1InChIKey
VZKVPNVMKJHQHX-KNYSFLBUSA-NSynonyms
(2((6~(S)10~(R)13~(S)16~(R)17~(R))11acetyloxy17hydroperoxy6101316tetramethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(6alpha8xi9xi14xi16alpha)17hydroperoxy616dimethyl320dioxopregna14diene1121diyldiacetate
135638988
2((6S8S9S10R11S13S14S16R17R)11acetoxy17hydroperoxy6101316tetramethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
InChI=1SC27H36O8c114919211015(2)27(353223(31)133316(3)28)26(216)1222(3417(4)29)24(19)25(5)8718(30)1120(14)25h781114151921222432H9101213H216H3t1415+19?21?22?24?252627m0s1
MFCD01543404
OO(C@@)1((C@H)(C)C(C@@H)2(C@)1(C)C(C@H)(OC(=O)C)(C@H)1(C@H)2C(C@@H)(C2=CC(=O)C=C(C@)12C)C)C(=O)COC(=O)C
ZINC001772491886
ZINC001772491891
Check stock
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Check stock on Vitas-MAvailable files
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