Vitas-M small molecule compound

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

Catalog ID
STL534453
SMILES COc1ccc(cc1)NC(=O)CNC(=O)CNC(=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 C23H31N3O9 MW 493.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O9/c1-22(2)32-16-17(33-22)19-21(35-23(3,4)34-19)31-18(16)20(29)25-10-14(27)24-11-15(28)26-12-6-8-13(30-5)9-7-12/h6-9,16-19,21H,10-11H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)/t16-,17+,18+,19-,21-/m1/s1
InChIKey
ZEYQHAUAXCXKOT-WVXKDWSHSA-N
Synonyms
956932-38-0
(1~(S)2~(R)6~(R)8~(S)9~(R))~(N)(2((2(4methoxyanilino)2oxoethyl)amino)2oxoethyl)441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5S5aR8aS8bR)N(2((2((4methoxyphenyl)amino)2oxoethyl)amino)2oxoethyl)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
(3aR5S5aR8aS8bR)N(2((2((4methoxyphenyl)amino)2oxoethyl)amino)2oxoethyl)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
16398140
956932380
COc1ccc(cc1)NC(=O)CNC(=O)CNC(=O)(C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
InChI=1SC23H31N3O9c122(2)321617(3322)1921(3523(34)3419)3118(16)20(29)251014(27)241115(28)26126813(305)9712h69161921H1011H215H3(H2427)(H2529)(H2628)t1617+18+1921m1s1
MFCD03660522
ZINC000002674091
ZINC2674091

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Available files

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