Vitas-M small molecule compound

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

Catalog ID
STL526477
SMILES O=C(Nc1ccc(cc1)C)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 C21H28N2O7 MW 420.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O7/c1-11-6-8-12(9-7-11)23-13(24)10-22-18(25)16-14-15(28-20(2,3)27-14)17-19(26-16)30-21(4,5)29-17/h6-9,14-17,19H,10H2,1-5H3,(H,22,25)(H,23,24)/t14-,15+,16?,17-,19-/m1/s1
InChIKey
XONWMSWHZVECLR-XTMPTPMBSA-N
Synonyms
1173914-38-9
(1~(S)2~(R)6~(R)9~(R))441111tetramethyl~(N)(2(4methylanilino)2oxoethyl)3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5aR8aS8bR)2277tetramethylN(2((4methylphenyl)amino)2oxoethyl)tetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
(3aR5aR8aS8bR)2277tetramethylN(2oxo2(ptolylamino)ethyl)tetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
1173914389
16397197
InChI=1SC21H28N2O7c1116812(9711)2313(24)102218(25)161415(2820(23)2714)1719(2616)3021(45)2917h69141719H10H215H3(H2225)(H2324)t1415+16?1719m1s1
MFCD02925167
O=C(Nc1ccc(cc1)C)CNC(=O)C1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
ZINC000002133883
ZINC000004028829

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Available files

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