Vitas-M small molecule compound

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

Catalog ID
STK042650
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)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/c1-5-26-20(25)17-12(2)22-15-10-21(3,4)11-16(24)19(15)18(17)13-7-6-8-14(23)9-13/h6-9,18,22-23H,5,10-11H2,1-4H3
InChIKey
IRSSDJFBLPUCMC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)O)C(=O)CC(C2)(C)C)C
ethyl4(3hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC21H25NO4c152620(25)1712(2)22151021(34)1116(24)19(15)18(17)1376814(23)913h69182223H51011H214H3
MFCD00364490
STK042650
ZINC000000635020
ZINC000018141574

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Available files

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