Vitas-M small molecule compound

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

Catalog ID
STK633563
SMILES OCCc1ccc(cc1)NC(=O)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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c24-13-11-15-5-8-17(9-6-15)22-20(25)12-14-27-19-10-7-16-3-1-2-4-18(16)23-21(19)26/h1-6,8-9,19,24H,7,10-14H2,(H,22,25)(H,23,26)
InChIKey
YWLMUGLVSHJQMX-UHFFFAOYSA-N
Synonyms
1010919-11-5
1010919115
3((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)N(4(2hydroxyethyl)phenyl)propanamide
C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NC3=CC=C(C=C3)CCO
InChI=1SC21H24N2O3Sc241311155817(9615)2220(25)1214271910716312418(16)2321(19)26h16891924H71014H2(H2225)(H2326)
MFCD18160140
N(4(2hydroxyethyl)phenyl)3((2oxo1345tetrahydro1benzazepin3yl)sulfanyl)propanamide
ZINC000012391305
ZINC000012391306

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Available files

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