Vitas-M small molecule compound
4-nitrophenyl (3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate (non-preferred name)
Catalog ID
STK726535
SMILES O=C([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)Oc1ccc(cc1)[N+](=O)[O-]
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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 C18H21NO9 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO9/c1-17(2)25-11-12(26-17)14-16(28-18(3,4)27-14)24-13(11)15(20)23-10-7-5-9(6-8-10)19(21)22/h5-8,11-14,16H,1-4H3/t11-,12+,13+,14-,16-/m1/s1InChIKey
ZYQSWUFUVGIGTA-WZYWGQKZSA-NSynonyms
485755-17-7(3aR5S5aR8aS8bR)4nitrophenyl2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxylate
(4nitrophenyl)(3aR5S5aR8aS8bR)2277tetramethyl55a8a8btetrahydro3aHdi(13)dioxolo(54a54d)pyran5carboxylate
485755177
4nitrophenyl(3aR5S5aR8aS8bR)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxylate(nonpreferredname)
CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)OC4=CC=C(C=C4)(N+)(=O)(O))C
InChI=1SC18H21NO9c117(2)251112(2617)1416(2818(34)2714)2413(11)15(20)2310759(6810)19(21)22h58111416H14H3t1112+13+1416m1s1
MFCD13371725
O=C((C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000002665373
ZINC2665373
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.