Vitas-M small molecule compound

ethyl 7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK291980
SMILES CCOC(=O)c1cc2C(=O)CC(Cc2[nH]c1=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 C14H17NO4 MW 263.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17NO4/c1-4-19-13(18)9-5-8-10(15-12(9)17)6-14(2,3)7-11(8)16/h5H,4,6-7H2,1-3H3,(H,15,17)
InChIKey
OFXNXJXFERZHCT-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC2=C(CC(CC2=O)(C)C)NC1=O
CCOC(=O)c1cc2C(=O)CC(Cc2(nH)c1=O)(C)C
ethyl77dimethyl25dioxo125678hexahydroquinoline3carboxylate
ethyl77dimethyl25dioxo68dihydro1Hquinoline3carboxylate
InChI=1SC14H17NO4c141913(18)95810(1512(9)17)614(23)711(8)16h5H467H213H3(H1517)
MFCD08592441
ZINC000010339436
ZINC10339436

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Available files

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