Vitas-M small molecule compound

methyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363186
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccccc1OC)C(=O)CC(C2)(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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-12-17(20(24)26-5)18(13-8-6-7-9-16(13)25-4)19-14(22-12)10-21(2,3)11-15(19)23/h6-9,18,22H,10-11H2,1-5H3
InChIKey
DKNSNEPNNNVUAD-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC)C(=O)OC
InChI=1SC21H25NO4c11217(20(24)265)18(13867916(13)254)1914(2212)1021(23)1115(19)23h691822H1011H215H3
methyl4(2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00368159
ZINC000019229017
ZINC000019229018

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Available files

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