Vitas-M small molecule compound

2-{[(benzylsulfanyl)acetyl]amino}-4-chlorobenzoic acid

Catalog ID
STK276777
SMILES O=C(Nc1cc(Cl)ccc1C(=O)O)CSCc1ccccc1

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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 C16H14ClNO3S MW 335.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClNO3S/c17-12-6-7-13(16(20)21)14(8-12)18-15(19)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKey
JHKXBFYVBYLHAW-UHFFFAOYSA-N
Synonyms

2(((benzylsulfanyl)acetyl)amino)4chlorobenzoicacid
2((2BENZYLSULFANYLACETYL)AMINO)4CHLOROBENZOICACID
C1=CC=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O
InChI=1SC16H14ClNO3Sc17126713(16(20)21)14(812)1815(19)10229114213511h18H910H2(H1819)(H2021)
MFCD01820897
ZINC000000053047
ZINC53047

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Available files

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