Vitas-M small molecule compound

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

Catalog ID
STK631956
SMILES O=C(Nc1cccc(c1)Cl)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 C19H19ClN2O2S MW 374.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O2S/c20-14-5-3-6-15(12-14)21-18(23)10-11-25-17-9-8-13-4-1-2-7-16(13)22-19(17)24/h1-7,12,17H,8-11H2,(H,21,23)(H,22,24)
InChIKey
ZHWIITSHFMHLAG-UHFFFAOYSA-N
Synonyms
1010910-49-2
1010910492
C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NC3=CC(=CC=C3)Cl
InChI=1SC19H19ClN2O2Sc201453615(1214)2118(23)101125179813412716(13)2219(17)24h171217H811H2(H2123)(H2224)
MFCD18159622
N(3chlorophenyl)3((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)propanamide
N(3chlorophenyl)3((2oxo1345tetrahydro1benzazepin3yl)sulfanyl)propanamide
ZINC000012322636
ZINC000012322637

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Available files

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