Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-pregn-4-ene-3,11,20-trione
Catalog ID
STL564565
SMILES O=C1CC[C@]2(C(=C1)CCC1C2C(=O)C[C@]2(C1CCC2C(=O)C)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 C21H28O3 MW 328.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15?,16?,17?,19?,20-,21+/m0/s1InChIKey
WKAVAGKRWFGIEA-KQYLQXPASA-NSynonyms
(10R13S)17acetyl1013dimethyl267891214151617decahydro1Hcyclopenta(a)phenanthrene311dione
(8S10R13S17S)17acetyl1013dimethyl78910121314151617decahydro1Hcyclopenta(a)phenanthrene311(2H6H)dione
(8xi9xi14xi17xi)pregn4ene31120trione
44308253
InChI=1SC21H28O3c112(22)1667171554131014(23)8920(132)19(15)18(24)1121(1617)3h10151719H4911H213H3t15?16?17?19?2021+m0s1
O=C1CC(C@)2(C(=C1)CC(C@@H)1C2C(=O)C(C@)2(C1CC(C@@H)2C(=O)C)C)C
ZINC000005383364
ZINC001848443737
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