Vitas-M small molecule compound

2-[(2-chlorobenzyl)sulfanyl]-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Catalog ID
STK887331
SMILES N#Cc1cc2C(=O)CCCc2nc1SCc1ccccc1Cl

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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 C17H13ClN2OS MW 328.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2OS/c18-14-5-2-1-4-11(14)10-22-17-12(9-19)8-13-15(20-17)6-3-7-16(13)21/h1-2,4-5,8H,3,6-7,10H2
InChIKey
CRJFIZRHZREKQR-UHFFFAOYSA-N
Synonyms

2((2chlorobenzyl)sulfanyl)5oxo5678tetrahydroquinoline3carbonitrile
2((2CHLOROPHENYL)METHYLSULFANYL)5OXO78DIHYDRO6HQUINOLINE3CARBONITRILE
2((2CHLOROPHENYL)METHYLTHIO)5OXO678TRIHYDROQUINOLINE3CARBONITRILE
C1CC2=C(C=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)C(=O)C1
InChI=1SC17H13ClN2OSc1814521411(14)10221712(919)81315(2017)63716(13)21h12458H36710H2
MFCD03783637
ZINC000000079418
ZINC00079418
ZINC79418

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Available files

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