Vitas-M small molecule compound

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

Catalog ID
STK013294
SMILES COc1ccc(cc1)COC(=O)C1=C(C)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 C26H25NO6 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO6/c1-15-23(26(29)31-13-16-6-9-18(30-2)10-7-16)24(25-19(27-15)4-3-5-20(25)28)17-8-11-21-22(12-17)33-14-32-21/h6-12,24,27H,3-5,13-14H2,1-2H3
InChIKey
WXVOTCNRVBGIOI-UHFFFAOYSA-N
Synonyms

(4methoxyphenyl)methyl4(13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2
InChI=1SC26H25NO6c11523(26(29)3113166918(302)10716)24(2519(2715)43520(25)28)178112122(1217)33143221h6122427H351314H212H3
MFCD02104415
STK013294
ZINC000000781117
ZINC000000781118

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Available files

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