Vitas-M small molecule compound

2-methylpropyl (2S)-4-hydroxy-2-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]carbamoyl}pyrrolidine-1-carboxylate

Catalog ID
STL015587
SMILES CC(COC(=O)N1CC(C[C@H]1C(=O)Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3)O)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 C26H36N2O4 MW 440.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O4/c1-16(2)15-32-25(31)28-14-22(29)10-23(28)24(30)27-21-5-3-20(4-6-21)26-11-17-7-18(12-26)9-19(8-17)13-26/h3-6,16-19,22-23,29H,7-15H2,1-2H3,(H,27,30)/t17?,18?,19?,22?,23-,26?/m0/s1
InChIKey
ANICMVNTRGPEKT-UWXNTUOISA-N
Synonyms

2methylpropyl(2S)2((4(1adamantyl)phenyl)carbamoyl)4hydroxypyrrolidine1carboxylate
2methylpropyl(2S)4hydroxy2((4(tricyclo(3311~37~)dec1yl)phenyl)carbamoyl)pyrrolidine1carboxylate
CC(C)COC(=O)N1CC(CC1C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O
CC(COC(=O)N1CC(C(C@H)1C(=O)Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3)O)C
CC(COC(=O)N1CC(CC1C(=O)Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3)O)C
InChI=1SC26H36N2O4c116(2)153225(31)281422(29)1023(28)24(30)27215320(4621)261117718(1226)919(817)1326h361619222329H715H212H3(H2730)t17?18?19?22?2326?m0s1
isobutyl2((4((3r5r7r)adamantan1yl)phenyl)carbamoyl)4hydroxypyrrolidine1carboxylate
ZINC000008662325
ZINC000010129599

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.