Vitas-M small molecule compound
(10R,13R)-10,13-dimethyl-17-(6-oxoheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate (non-preferred name)
Catalog ID
STK777936
SMILES CC(=O)CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)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 C28H44O3 MW 428.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18,22-26H,6-8,10-17H2,1-5H3/t18?,22?,23?,24?,25?,26?,27-,28+/m0/s1InChIKey
XRPYRCCVSZYAQT-CTACFMTASA-NSynonyms
7548-94-9((10R13R)1013dimethyl17(6oxoheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)acetate
(10R13R)1013dimethyl17(6oxoheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate(nonpreferredname)
7548949
CC(=O)CCCC(C1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)C)C
CC(CCCC(=O)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
InChI=1SC28H44O3c118(76819(2)29)2411122523109211722(3120(3)30)131527(214)26(23)141628(2425)5h9182226H681017H215H3t18?22?23?24?25?26?2728+m0s1
MFCD04227975
ZINC000015321161
ZINC000253506185
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