Vitas-M small molecule compound
(3aR,5aR,8aS,8bR)-N-{2-[(2-hydroxyphenyl)amino]-2-oxoethyl}-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
Catalog ID
STL526440
SMILES O=C(Nc1ccccc1O)CNC(=O)C1O[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 C20H26N2O8 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O8/c1-19(2)27-13-14(28-19)16-18(30-20(3,4)29-16)26-15(13)17(25)21-9-12(24)22-10-7-5-6-8-11(10)23/h5-8,13-16,18,23H,9H2,1-4H3,(H,21,25)(H,22,24)/t13-,14+,15?,16-,18-/m1/s1InChIKey
HDWQIXPIRUKBBB-BJLQQYENSA-NSynonyms
1173915-05-3(1~(S)2~(R)6~(R)9~(R))~(N)(2(2hydroxyanilino)2oxoethyl)441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5aR8aS8bR)N(2((2hydroxyphenyl)amino)2oxoethyl)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
(3aR5aR8aS8bR)N(2((2hydroxyphenyl)amino)2oxoethyl)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
1173915053
16397226
InChI=1SC20H26N2O8c119(2)271314(2819)1618(3020(34)2916)2615(13)17(25)21912(24)2210756811(10)23h5813161823H9H214H3(H2125)(H2224)t1314+15?1618m1s1
MFCD02925312
O=C(Nc1ccccc1O)CNC(=O)C1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
ZINC000002134019
ZINC000002134021
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.