Vitas-M small molecule compound

2-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]-N-(pyridin-4-yl)acetamide

Catalog ID
STK647391
SMILES O=C(Nc1ccncc1)CSC1CCc2c(N=C1O)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 C17H17N3O2S MW 327.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O2S/c21-16(19-13-7-9-18-10-8-13)11-23-15-6-5-12-3-1-2-4-14(12)20-17(15)22/h1-4,7-10,15H,5-6,11H2,(H,20,22)(H,18,19,21)
InChIKey
AITIVVYSBHWBOV-UHFFFAOYSA-N
Synonyms
1010874-57-3
1010874573
2((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)N(pyridin4yl)acetamide
2((2oxo1345tetrahydro1benzazepin3yl)sulfanyl)Npyridin4ylacetamide
C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NC3=CC=NC=C3
InChI=1SC17H17N3O2Sc2116(1913791810813)1123156512312414(12)2017(15)22h1471015H5611H2(H2022)(H181921)
MFCD18164553
ZINC000012324475
ZINC000012324476

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Available files

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