Vitas-M small molecule compound
(3aR,5S,5aR,8aS,8bR)-N-(3-chloro-4-methylphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
Catalog ID
STL526748
SMILES O=C([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)Nc1ccc(c(c1)Cl)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 C19H24ClNO6 MW 397.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24ClNO6/c1-9-6-7-10(8-11(9)20)21-16(22)14-12-13(25-18(2,3)24-12)15-17(23-14)27-19(4,5)26-15/h6-8,12-15,17H,1-5H3,(H,21,22)/t12-,13+,14+,15-,17-/m1/s1InChIKey
ZZEXILUHBFSHFY-RUCLQGLUSA-NSynonyms
345347-99-1(1~(S)2~(R)6~(R)8~(S)9~(R))~(N)(3chloro4methylphenyl)441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5S5aR8aS8bR)N(3chloro4methylphenyl)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
(3aR5S5aR8aS8bR)N(3chloro4methylphenyl)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
345347991
7079107
InChI=1SC19H24ClNO6c196710(811(9)20)2116(22)141213(2518(23)2412)1517(2314)2719(45)2615h68121517H15H3(H2122)t1213+14+1517m1s1
MFCD03005933
O=C((C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C)Nc1ccc(c(c1)Cl)C
ZINC000004029359
ZINC4029359
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