Vitas-M small molecule compound

ethyl 1-[6-oxo-5-(phenylamino)-6H-anthra[1,9-cd][1,2]oxazol-3-yl]piperidine-3-carboxylate

Catalog ID
STK535261
SMILES CCOC(=O)C1CCCN(C1)c1cc(Nc2ccccc2)c2c3c1noc3c1c(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 C28H25N3O4 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4/c1-2-34-28(33)17-9-8-14-31(16-17)22-15-21(29-18-10-4-3-5-11-18)23-24-25(22)30-35-27(24)20-13-7-6-12-19(20)26(23)32/h3-7,10-13,15,17,29H,2,8-9,14,16H2,1H3
InChIKey
PVFZHCFDACYYOA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1CCCN(C1)C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NC6=CC=CC=C6
ethyl1(6oxo5(phenylamino)6Hanthra(19cd)(12)oxazol3yl)piperidine3carboxylate
ethyl1(6oxo5(phenylamino)6Hanthra(19cd)isoxazol3yl)piperidine3carboxylate
InChI=1SC28H25N3O4c123428(33)17981431(1617)221521(2918104351118)232425(22)303527(24)2013761219(20)26(23)32h371013151729H2891416H21H3
MFCD02995807
ZINC000002304095
ZINC000002304096

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Available files

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