Vitas-M small molecule compound
(3aR,5S,5aR,8aS,8bR)-N-(4-ethoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
Catalog ID
STL553689
SMILES CCOc1ccc(cc1)NC(=O)[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 C20H27NO7 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO7/c1-6-23-12-9-7-11(8-10-12)21-17(22)15-13-14(26-19(2,3)25-13)16-18(24-15)28-20(4,5)27-16/h7-10,13-16,18H,6H2,1-5H3,(H,21,22)/t13-,14+,15+,16-,18-/m1/s1InChIKey
WXXCWELNNOIETM-QYXWGXCQSA-NSynonyms
300799-08-0(1~(S)2~(R)6~(R)8~(S)9~(R))~(N)(4ethoxyphenyl)441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5S5aR8aS8bR)N(4ethoxyphenyl)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
(3aR5S5aR8aS8bR)N(4ethoxyphenyl)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
300799080
7079103
CCOc1ccc(cc1)NC(=O)(C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
InChI=1SC20H27NO7c1623129711(81012)2117(22)151314(2619(23)2513)1618(2415)2820(45)2716h710131618H6H215H3(H2122)t1314+15+1618m1s1
MFCD02129551
ZINC000004029353
ZINC4029353
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