Vitas-M small molecule compound
(3aR,5S,5aR,8aS,8bR)-N-(2-butoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
Catalog ID
STL553687
SMILES CCCCOc1ccccc1NC(=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 C22H31NO7 MW 421.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO7/c1-6-7-12-25-14-11-9-8-10-13(14)23-19(24)17-15-16(28-21(2,3)27-15)18-20(26-17)30-22(4,5)29-18/h8-11,15-18,20H,6-7,12H2,1-5H3,(H,23,24)/t15-,16+,17+,18-,20-/m1/s1InChIKey
BJOWVTJTTOMHCO-ZMIKWESLSA-NSynonyms
449797-04-0(1~(S)2~(R)6~(R)8~(S)9~(R))~(N)(2butoxyphenyl)441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5S5aR8aS8bR)N(2butoxyphenyl)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
(3aR5S5aR8aS8bR)N(2butoxyphenyl)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
449797040
7079199
CCCCOc1ccccc1NC(=O)(C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
InChI=1SC22H31NO7c16712251411981013(14)2319(24)171516(2821(23)2715)1820(2617)3022(45)2918h811151820H6712H215H3(H2324)t1516+17+1820m1s1
MFCD02129546
ZINC000004029459
ZINC4029459
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