Vitas-M small molecule compound
(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-{2-[(3-methylphenyl)amino]-2-oxoethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
Catalog ID
STL526048
SMILES O=C(Nc1cccc(c1)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/c1-11-7-6-8-12(9-11)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/s1InChIKey
XQCHTMPMKRCGKI-XTMPTPMBSA-NSynonyms
1173915-04-2(1~(S)2~(R)6~(R)9~(R))441111tetramethyl~(N)(2(3methylanilino)2oxoethyl)3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5aR8aS8bR)2277tetramethylN(2((3methylphenyl)amino)2oxoethyl)tetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
(3aR5aR8aS8bR)2277tetramethylN(2oxo2(mtolylamino)ethyl)tetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
1173915042
16397219
InChI=1SC21H28N2O7c11176812(911)2313(24)102218(25)161415(2820(23)2714)1719(2616)3021(45)2917h69141719H10H215H3(H2225)(H2324)t1415+16?1719m1s1
MFCD02925285
O=C(Nc1cccc(c1)C)CNC(=O)C1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
ZINC000004028863
ZINC000004028864
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.