Vitas-M small molecule compound
4-[(pentanoylcarbamothioyl)amino]benzoic acid
Catalog ID
STK102741
SMILES CCCCC(=O)NC(=S)Nc1ccc(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 C13H16N2O3S MW 280.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O3S/c1-2-3-4-11(16)15-13(19)14-10-7-5-9(6-8-10)12(17)18/h5-8H,2-4H2,1H3,(H,17,18)(H2,14,15,16,19)InChIKey
RGXGUVPJDJGVAO-UHFFFAOYSA-NSynonyms
4((PENTANOYLCARBAMOTHIOYL)AMINO)BENZOICACID
4(PENTANOYLCARBAMOTHIOYLAMINO)BENZOICACID
BENZOICACID4((((1OXOPENTYL)AMINO)THIOXOMETHYL)AMINO)
CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)O
InChI=1SC13H16N2O3Sc123411(16)1513(19)1410759(6810)12(17)18h58H24H21H3(H1718)(H214151619)
MFCD03571660
ZINC000003003859
ZINC3003859
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