Vitas-M small molecule compound

4-({[4-(methylsulfanyl)benzyl]amino}methyl)benzoic acid

Catalog ID
STK279508
SMILES CSc1ccc(cc1)CNCc1ccc(cc1)C(=O)O

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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 C16H17NO2S MW 287.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO2S/c1-20-15-8-4-13(5-9-15)11-17-10-12-2-6-14(7-3-12)16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKey
AGXHAFKOYPITGS-UHFFFAOYSA-N
Synonyms
875005-42-8
4(((4(METHYLSULFANYL)BENZYL)AMINO)METHYL)BENZOICACID
4(((4(methylthio)benzyl)amino)methyl)benzoicacid
4(((4METHYLSULFANYLPHENYL)METHYLAMINO)METHYL)BENZOICACID
4(((4METHYLSULFANYLPHENYL)METHYLAZANIUMYL)METHYL)BENZOATE
875005428
CSC1=CC=C(C=C1)C(NH2+)CC2=CC=C(C=C2)C(=O)(O)
InChI=1SC16H17NO2Sc120158413(5915)111710122614(7312)16(18)19h2917H1011H21H3(H1819)
MFCD06783286
ZINC000004843351
ZINC04843351
ZINC4843351

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Available files

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