Vitas-M small molecule compound

ethyl 4-(1,3-benzodioxol-5-yl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK371895
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2

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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 C21H23NO5 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5/c1-3-13-20(21(24)25-4-2)18(19-14(22-13)6-5-7-15(19)23)12-8-9-16-17(10-12)27-11-26-16/h8-10,18,22H,3-7,11H2,1-2H3
InChIKey
ANXLXAWIQUBQCG-UHFFFAOYSA-N
Synonyms

CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC
ethyl4(13benzodioxol5yl)2ethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(13benzodioxol5yl)2ethyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC21H23NO5c131320(21(24)2542)18(1914(2213)65715(19)23)12891617(1012)27112616h8101822H3711H212H3
MFCD00619601
ZINC000019315262
ZINC000019315265

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Available files

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