Vitas-M small molecule compound

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamide

Catalog ID
STK841958
SMILES COc1cc(CCNC(=O)CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)ccc1OC

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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 C28H30N2O5 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5/c1-34-23-14-13-19(18-24(23)35-2)15-16-29-25(31)12-4-3-5-17-30-27(32)21-10-6-8-20-9-7-11-22(26(20)21)28(30)33/h6-11,13-14,18H,3-5,12,15-17H2,1-2H3,(H,29,31)
InChIKey
WLHVYFOVRDZTDA-UHFFFAOYSA-N
Synonyms
438481-54-0
438481540
COC1=C(C=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)OC
InChI=1SC28H30N2O5c13423141319(1824(23)352)15162925(31)12435173027(32)21106820971122(26(20)21)28(30)33h611131418H35121517H212H3(H2931)
MFCD03147457
N(2(34dimethoxyphenyl)ethyl)6(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)hexanamide
N(2(34DIMETHOXYPHENYL)ETHYL)6(13DIOXOBENZO(DE)ISOQUINOLIN2YL)HEXANAMIDE
N(34DIMETHOXYPHENETHYL)6(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)HEXANAMIDE
ZINC000009441417
ZINC09441417
ZINC9441417

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Available files

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