Vitas-M small molecule compound

methyl {6-[(cyclohexylamino)methyl]-7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate

Catalog ID
STK635049
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C)O)CNC1CCCCC1

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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 C21H27NO5 MW 373.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5/c1-12-16-9-14(11-22-15-7-5-4-6-8-15)19(24)13(2)20(16)27-21(25)17(12)10-18(23)26-3/h9,15,22,24H,4-8,10-11H2,1-3H3
InChIKey
ISPNWFPFYKAITM-UHFFFAOYSA-N
Synonyms
1010897-52-5
1010897525
CC1=C(C(=O)OC2=C(C(=C(C=C12)CNC3CCCCC3)O)C)CC(=O)OC
InChI=1SC21H27NO5c11216914(1122157546815)19(24)13(2)20(16)2721(25)17(12)1018(23)263h9152224H481011H213H3
methyl(6((cyclohexylamino)methyl)7hydroxy48dimethyl2oxo2Hchromen3yl)acetate
methyl2(6((cyclohexylamino)methyl)7hydroxy48dimethyl2oxo2Hchromen3yl)acetate
methyl2(6((cyclohexylamino)methyl)7hydroxy48dimethyl2oxochromen3yl)acetate
MFCD12202329
ZINC000012390837
ZINC12390837

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Available files

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