Vitas-M small molecule compound
[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methyl 4-nitrobenzenesulfonate (non-preferred name)
Catalog ID
STK387507
SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)OC[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)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 C18H23NO10S MW 445.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO10S/c1-17(2)26-13-12(25-16-15(14(13)27-17)28-18(3,4)29-16)9-24-30(22,23)11-7-5-10(6-8-11)19(20)21/h5-8,12-16H,9H2,1-4H3/t12-,13+,14+,15-,16-/m1/s1InChIKey
UKCMSQOXSADUBO-LYYZXLFJSA-NSynonyms
((3aR5R5aS8aS8bR)2277tetramethyl55a8a8btetrahydro3aHdi(13)dioxolo(45a54d)pyran5yl)methyl4nitrobenzenesulfonate
((3aR5R5aS8aS8bR)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5yl)methyl4nitrobenzenesulfonate(nonpreferredname)
(O)(N+)(=O)c1ccc(cc1)S(=O)(=O)OC(C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COS(=O)(=O)C4=CC=C(C=C4)(N+)(=O)(O))C
InChI=1SC18H23NO10Sc117(2)261312(251615(14(13)2717)2818(34)2916)92430(2223)117510(6811)19(20)21h581216H9H214H3t1213+14+1516m1s1
MFCD13368851
ZINC000008861248
ZINC08861248
ZINC8861248
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