Vitas-M small molecule compound

N-cyclooctyl-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamide

Catalog ID
STK605904
SMILES O=C(NC1CCCCCCC1)COc1cc(O)c2c(c1)OC(CC2=O)(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 C21H29NO5 MW 375.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO5/c1-21(2)12-17(24)20-16(23)10-15(11-18(20)27-21)26-13-19(25)22-14-8-6-4-3-5-7-9-14/h10-11,14,23H,3-9,12-13H2,1-2H3,(H,22,25)
InChIKey
CDIJOOXHEADYQR-UHFFFAOYSA-N
Synonyms
1004242-68-5
1004242685
CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NC3CCCCCCC3)O)C
InChI=1SC21H29NO5c121(2)1217(24)2016(23)1015(1118(20)2721)261319(25)2214864357914h10111423H391213H212H3(H2225)
Ncyclooctyl2((5hydroxy22dimethyl4oxo34dihydro2Hchromen7yl)oxy)acetamide
NCYCLOOCTYL2((5HYDROXY22DIMETHYL4OXO3HCHROMEN7YL)OXY)ACETAMIDE
Ncyclooctyl2((5hydroxy22dimethyl4oxochroman7yl)oxy)acetamide
ZINC000006757569
ZINC06757569
ZINC6757569

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Available files

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