Vitas-M small molecule compound
(8xi,9xi,14xi)-17-oxo-4,9-cyclo-9,10-secoandrosta-1(10),2,4-trien-3-yl acetate
Catalog ID
STL548978
SMILES CC(=O)Oc1ccc(c2c1C1CC[C@]3(C(C1CC2)CCC3=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 C21H26O3 MW 326.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26O3/c1-12-4-8-18(24-13(2)22)20-14(12)5-6-15-16(20)10-11-21(3)17(15)7-9-19(21)23/h4,8,15-17H,5-7,9-11H2,1-3H3/t15?,16?,17?,21-/m0/s1InChIKey
RNKRHMVSDHMQGT-QWIDGOMASA-NSynonyms
((13~(S))413dimethyl17oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren1yl)acetate
(13S)413dimethyl17oxo78911121314151617decahydro6Hcyclopenta(a)phenanthren1ylacetate
(8xi9xi14xi)17oxo49cyclo910secoandrosta1(10)24trien3ylacetate
16395858
CC(=O)Oc1ccc(c2c1C1CC(C@)3(C(C1CC2)CCC3=O)C)C
InChI=1SC21H26O3c1124818(2413(2)22)2014(12)561516(20)101121(3)17(15)7919(21)23h481517H57911H213H3t15?16?17?21m0s1
MFCD01546621
ZINC000004026234
ZINC000252694899
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