Vitas-M small molecule compound

4-methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid

Catalog ID
STK107416
SMILES CCCCC(=O)NC(=S)Nc1cc(ccc1C)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 C14H18N2O3S MW 294.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O3S/c1-3-4-5-12(17)16-14(20)15-11-8-10(13(18)19)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKey
AFTFCUMUZRVDFS-UHFFFAOYSA-N
Synonyms

4METHYL3((PENTANOYLCARBAMOTHIOYL)AMINO)BENZOICACID
4METHYL3(PENTANOYLCARBAMOTHIOYLAMINO)BENZOICACID
BENZOICACID4METHYL3((((1OXOPENTYL)AMINO)THIOXOMETHYL)AMINO)
CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)C
InChI=1SC14H18N2O3Sc134512(17)1614(20)1511810(13(18)19)769(11)2h68H35H212H3(H1819)(H215161720)
MFCD03244524
ZINC000002999095
ZINC2999095

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Available files

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