Vitas-M small molecule compound

3-[(pentanoylcarbamothioyl)amino]benzoic acid

Catalog ID
STK108184
SMILES CCCCC(=O)NC(=S)Nc1cccc(c1)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 C13H16N2O3S MW 280.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O3S/c1-2-3-7-11(16)15-13(19)14-10-6-4-5-9(8-10)12(17)18/h4-6,8H,2-3,7H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKey
VMYAXWVMEWQTIJ-UHFFFAOYSA-N
Synonyms
433952-31-9
3(((PENTANOYLAMINO)CARBONOTHIOYL)AMINO)BENZOICACID
3((PENTANOYLCARBAMOTHIOYL)AMINO)BENZOICACID
3(PENTANOYLCARBAMOTHIOYLAMINO)BENZOICACID
433952319
BENZOICACID3((((1OXOPENTYL)AMINO)THIOXOMETHYL)AMINO)
CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)O
InChI=1SC13H16N2O3Sc123711(16)1513(19)14106459(810)12(17)18h468H237H21H3(H1718)(H214151619)
MFCD03246728
ZINC000002999196
ZINC2999196

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Available files

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