Vitas-M small molecule compound
methyl (8xi,9xi,14xi)-21-(acetyloxy)-3,20-dioxopregna-1,4,16-triene-11-carboxylate
Catalog ID
STL525118
SMILES COC(=O)C1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)CC=C2C(=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 C25H30O6 MW 426.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30O6/c1-14(26)31-13-21(28)20-8-7-19-17-6-5-15-11-16(27)9-10-24(15,2)22(17)18(23(29)30-4)12-25(19,20)3/h8-11,17-19,22H,5-7,12-13H2,1-4H3/t17?,18?,19?,22?,24-,25-/m0/s1InChIKey
BGBZKQHGZSYVSB-MMVJSBLYSA-NSynonyms
(10R13S)methyl17(2acetoxyacetyl)1013dimethyl3oxo6789101112131415decahydro3Hcyclopenta(a)phenanthrene11carboxylate
16395384
COC(=O)C1C(C@@)2(C)C(C3C1(C@@)1(C)C=CC(=O)C=C1CC3)CC=C2C(=O)COC(=O)C
InChI=1SC25H30O6c114(26)311321(28)2087191765151116(27)91024(152)22(17)18(23(29)304)1225(1920)3h811171922H571213H214H3t17?18?19?22?2425m0s1
methyl(10~(R)13~(S))17(2acetyloxyacetyl)1013dimethyl3oxo678911121415octahydrocyclopenta(a)phenanthrene11carboxylate
methyl(8xi9xi14xi)21(acetyloxy)320dioxopregna1416triene11carboxylate
MFCD01544785
ZINC000070664954
ZINC000253498979
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