Vitas-M small molecule compound

N-(3,4-dimethoxybenzyl)-4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]benzamide

Catalog ID
STK592845
SMILES COc1ccc(cc1OC)CNC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

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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 C27H25N3O5 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5/c1-34-23-12-7-17(13-24(23)35-2)15-28-25(31)18-8-10-21(11-9-18)30-26(32)22-14-19-5-3-4-6-20(19)16-29(22)27(30)33/h3-13,22H,14-16H2,1-2H3,(H,28,31)/t22-/m0/s1
InChIKey
AVWNZUYGZXOVIU-QFIPXVFZSA-N
Synonyms
1014003-76-9
(S)N(34dimethoxybenzyl)4(13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)benzamide
1014003769
4((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)N((34dimethoxyphenyl)methyl)benzamide
COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=O)C4CC5=CC=CC=C5CN4C3=O)OC
COc1ccc(cc1OC)CNC(=O)c1ccc(cc1)N1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
InChI=1SC27H25N3O5c1342312717(1324(23)352)152825(31)1881021(11918)3026(32)221419534620(19)1629(22)27(30)33h31322H1416H212H3(H2831)t22m0s1
MFCD08284489
N(34dimethoxybenzyl)4((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)benzamide
ZINC000009129086
ZINC09129086
ZINC9129086

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Available files

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