Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl methanesulfonate
Catalog ID
STL549209
SMILES O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)COS(=O)(=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 C22H32O6S MW 424.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32O6S/c1-20-9-6-15(23)12-14(20)4-5-16-17(20)7-10-21(2)18(16)8-11-22(21,25)19(24)13-28-29(3,26)27/h12,16-18,25H,4-11,13H2,1-3H3/t16?,17?,18?,20-,21-,22-/m0/s1InChIKey
QZVWLKDDMXSPIK-GSQPBCFPSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)methanesulfonate
(8xi9xi14xi)17hydroxy320dioxopregn4en21ylmethanesulfonate
135639806
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylmethanesulfonate
InChI=1SC22H32O6Sc1209615(23)1214(20)451617(20)71021(2)18(16)81122(2125)19(24)132829(326)27h12161825H41113H213H3t16?17?18?202122m0s1
MFCD01546989
O=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)COS(=O)(=O)C)C)C
ZINC000005529869
ZINC001772492839
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