Vitas-M small molecule compound

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

Catalog ID
STK642158
SMILES OCCCNC(=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 C16H22N2O3S MW 322.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O3S/c19-10-3-9-17-15(20)8-11-22-14-7-6-12-4-1-2-5-13(12)18-16(14)21/h1-2,4-5,14,19H,3,6-11H2,(H,17,20)(H,18,21)
InChIKey
LOTULFFLPFMNFL-UHFFFAOYSA-N
Synonyms
1081113-14-5
1081113145
3((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)N(3hydroxypropyl)propanamide
C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NCCCO
InChI=1SC16H22N2O3Sc1910391715(20)81122147612412513(12)1816(14)21h12451419H3611H2(H1720)(H1821)
MFCD18162886
N(3hydroxypropyl)3((2oxo1345tetrahydro1benzazepin3yl)sulfanyl)propanamide
ZINC000020737489
ZINC000020737493

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Available files

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