Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(10aS)-7,8-dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanamide

Catalog ID
STK626424
SMILES COc1cc2CN3C(=O)N(C(=O)[C@@H]3Cc2cc1OC)CCC(=O)Nc1ccc2c(c1)OCCO2

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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 C24H25N3O7 MW 467.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O7/c1-31-19-10-14-9-17-23(29)26(24(30)27(17)13-15(14)11-20(19)32-2)6-5-22(28)25-16-3-4-18-21(12-16)34-8-7-33-18/h3-4,10-12,17H,5-9,13H2,1-2H3,(H,25,28)/t17-/m0/s1
InChIKey
YWGMPOKSAADWDW-KRWDZBQOSA-N
Synonyms
1014409-11-0
(S)N(23dihydrobenzo(b)(14)dioxin6yl)3(78dimethoxy13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)propanamide
1014409110
3((10aS)78dimethoxy13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)N(23dihydro14benzodioxin6yl)propanamide
COC1=C(C=C2CN3C(CC2=C1)C(=O)N(C3=O)CCC(=O)NC4=CC5=C(C=C4)OCCO5)OC
COc1cc2CN3C(=O)N(C(=O)(C@@H)3Cc2cc1OC)CCC(=O)Nc1ccc2c(c1)OCCO2
InChI=1SC24H25N3O7c13119101491723(29)26(24(30)27(17)1315(14)1120(19)322)6522(28)2516341821(1216)34873318h34101217H5913H212H3(H2528)t17m0s1
MFCD09852306
N(23dihydro14benzodioxin6yl)3((10aS)78dimethoxy13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)propanamide
ZINC000013691098
ZINC13691098

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Available files

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