Vitas-M small molecule compound
(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl 4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoate
Catalog ID
STL526837
SMILES O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)ON1C(=O)CCC1=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 C31H39NO10 MW 585.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39NO10/c1-18(33)41-31(24(35)17-40-27(38)8-9-28(39)42-32-25(36)6-7-26(32)37)15-12-23-21-5-4-19-16-20(34)10-13-29(19,2)22(21)11-14-30(23,31)3/h16,21-23H,4-15,17H2,1-3H3/t21?,22?,23?,29-,30-,31-/m0/s1InChIKey
DOSGIOCXLNHNRB-ZYQKMZHSSA-NSynonyms
(8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl4((25dioxopyrrolidin1yl)oxy)4oxobutanoate
1~(O)(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4~(O)(25dioxopyrrolidin1yl)butanedioate
2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl(25dioxopyrrolidin1yl)succinate
44662625
InChI=1SC31H39NO10c118(33)4131(24(35)174027(38)8928(39)423225(36)6726(32)37)1512232154191620(34)101329(192)22(21)111430(2331)3h162123H41517H213H3t21?22?23?293031m0s1
MFCD03006119
O=C(OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)C)CCC(=O)ON1C(=O)CCC1=O
ZINC000253504749
ZINC000253504764
Check stock
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