Vitas-M small molecule compound
(2R,3R,4S,4aR,12aS)-2-[(acetyloxy)methyl]-6,11-dioxo-3,4,4a,6,11,12a-hexahydro-2H-naphtho[2,3-b]pyrano[2,3-e][1,4]oxathiine-3,4-diyl diacetate
Catalog ID
STL524898
SMILES CC(=O)O[C@@H]1[C@H]2OC3=C(S[C@@H]2O[C@@H]([C@H]1OC(=O)C)COC(=O)C)C(=O)c1c(C3=O)cccc1
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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 C22H20O10S MW 476.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O10S/c1-9(23)28-8-14-17(29-10(2)24)19(30-11(3)25)20-22(31-14)33-21-16(27)13-7-5-4-6-12(13)15(26)18(21)32-20/h4-7,14,17,19-20,22H,8H2,1-3H3/t14-,17-,19+,20-,22+/m1/s1InChIKey
NJUKYOCSAOODHG-NUMOICBXSA-NSynonyms
139147-84-5((3~(S)5~(R)6~(R)7~(S)8~(R))67diacetyloxy1118dioxo49dioxa2thiatetracyclo(8800^(38)0^(1217))octadeca1(10)121416tetraen5yl)methylacetate
(2R3R4S4aR12aS)2((acetyloxy)methyl)611dioxo344a61112ahexahydro2Hnaphtho(23b)pyrano(23e)(14)oxathiine34diyldiacetate
(2R3R4S4aR12aS)2(acetoxymethyl)611dioxo344a61112ahexahydro2Hnaphtho(23b)pyrano(23e)(14)oxathiine34diyldiacetate
139147845
15714633
CC(=O)O(C@@H)1(C@H)2OC3=C(S(C@@H)2O(C@@H)((C@H)1OC(=O)C)COC(=O)C)C(=O)c1c(C3=O)cccc1
InChI=1SC22H20O10Sc19(23)2881417(2910(2)24)19(3011(3)25)2022(3114)332116(27)13754612(13)15(26)18(21)3220h471417192022H8H213H3t141719+2022+m1s1
MFCD01081493
ZINC000012653075
ZINC12653075
Check stock
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Check stock on Vitas-MAvailable files
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