Vitas-M small molecule compound

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

Catalog ID
STK637125
SMILES O=C(NCc1ccccc1)CCSC1CCc2c(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 C20H22N2O2S MW 354.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O2S/c23-19(21-14-15-6-2-1-3-7-15)12-13-25-18-11-10-16-8-4-5-9-17(16)22-20(18)24/h1-9,18H,10-14H2,(H,21,23)(H,22,24)
InChIKey
CYWHIJJFJACDGX-UHFFFAOYSA-N
Synonyms
1010923-68-8
1010923688
C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NCC3=CC=CC=C3
InChI=1SC20H22N2O2Sc2319(2114156213715)12132518111016845917(16)2220(18)24h1918H1014H2(H2123)(H2224)
MFCD18161279
Nbenzyl3((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)propanamide
Nbenzyl3((2oxo1345tetrahydro1benzazepin3yl)sulfanyl)propanamide
ZINC000012322329
ZINC000012322330

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Available files

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