Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl methanesulfonate
Catalog ID
STL526673
SMILES O=C1C=C[C@]2(C(=C1)CCC1C2C(O)C[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 C22H30O7S MW 438.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h6,8,10,15-17,19,24,26H,4-5,7,9,11-12H2,1-3H3/t15?,16?,17?,19?,20-,21-,22-/m0/s1InChIKey
TZEYKLAAPSZABE-ZZAKNFCKSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)methanesulfonate
(8xi9xi14xi)1117dihydroxy320dioxopregna14dien21ylmethanesulfonate
135639187
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylmethanesulfonate
InChI=1SC22H30O7Sc1208614(23)1013(20)4515167922(2618(25)122930(327)28)21(162)1117(24)19(15)20h68101517192426H45791112H213H3t15?16?17?19?202122m0s1
MFCD03005729
O=C1C=C(C@)2(C(=C1)CC(C@@H)1(C@@H)2(C@@H)(O)C(C@)2((C@H)1CC(C@)2(O)C(=O)COS(=O)(=O)C)C)C
ZINC000252428195
ZINC001772492477
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