Vitas-M small molecule compound

hexyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate

Catalog ID
STK835472
SMILES CCCCCCOC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1

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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 C21H19NO4 MW 349.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4/c1-2-3-4-7-12-25-21(24)16-11-10-15-17-18(16)22-26-20(17)14-9-6-5-8-13(14)19(15)23/h5-6,8-11H,2-4,7,12H2,1H3
InChIKey
DVGJNFNBMMDLLD-UHFFFAOYSA-N
Synonyms

6OXO6HANTHRA(19CD)ISOXAZOLE3CARBOXYLICACIDHEXYLESTER
CCCCCCOC(=O)C1=CC=C2C3=C(C4=CC=CC=C4C2=O)ON=C13
hexyl6oxo6Hanthra(19cd)(12)oxazole3carboxylate
hexyl6oxo6Hanthra(19cd)isoxazole3carboxylate
InChI=1SC21H19NO4c12347122521(24)161110151718(16)222620(17)14965813(14)19(15)23h56811H24712H21H3
MFCD00979886
ZINC000003898660
ZINC03898660
ZINC3898660

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Available files

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