Vitas-M small molecule compound

(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-{1-[(4-methylphenyl)amino]-1-oxopropan-2-yl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)

Catalog ID
STL526172
SMILES Cc1ccc(cc1)NC(=O)C(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)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 C22H30N2O7 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O7/c1-11-7-9-13(10-8-11)24-18(25)12(2)23-19(26)16-14-15(29-21(3,4)28-14)17-20(27-16)31-22(5,6)30-17/h7-10,12,14-17,20H,1-6H3,(H,23,26)(H,24,25)/t12?,14-,15+,16?,17-,20-/m1/s1
InChIKey
JESAKGFQNKXLOS-TUXZILSJSA-N
Synonyms
1033546-80-3
(1~(S)2~(R)6~(R)9~(R))441111tetramethyl~(N)(1(4methylanilino)1oxopropan2yl)3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5aR8aS8bR)2277tetramethylN(1((4methylphenyl)amino)1oxopropan2yl)tetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
(3aR5aR8aS8bR)2277tetramethylN(1oxo1(ptolylamino)propan2yl)tetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
1033546803
16397276
Cc1ccc(cc1)NC(=O)C(NC(=O)C1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C)C
InChI=1SC22H30N2O7c1117913(10811)2418(25)12(2)2319(26)161415(2921(34)2814)1720(2716)3122(56)3017h71012141720H16H3(H2326)(H2425)t12?1415+16?1720m1s1
MFCD02925626
ZINC000002134546
ZINC000002134553

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Available files

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