Vitas-M small molecule compound

N-cyclooctyl-2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

Catalog ID
STL250459
SMILES COCCn1cc(C(=O)NC2CCCCCCC2)c2c(c1=O)cccc2

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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 C21H28N2O3 MW 356.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3/c1-26-14-13-23-15-19(17-11-7-8-12-18(17)21(23)25)20(24)22-16-9-5-3-2-4-6-10-16/h7-8,11-12,15-16H,2-6,9-10,13-14H2,1H3,(H,22,24)
InChIKey
JQWALFQGXWYYHU-UHFFFAOYSA-N
Synonyms
1351682-02-4
1351682024
COCCN1C=C(C2=CC=CC=C2C1=O)C(=O)NC3CCCCCCC3
InChI=1SC21H28N2O3c1261413231519(1711781218(17)21(23)25)20(24)22169532461016h7811121516H269101314H21H3(H2224)
MFCD20536352
Ncyclooctyl2(2methoxyethyl)1oxo12dihydroisoquinoline4carboxamide
Ncyclooctyl2(2methoxyethyl)1oxoisoquinoline4carboxamide
ZINC000072401195
ZINC72401195

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Available files

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