Vitas-M small molecule compound

2-chloro-5-{[(2,2-dimethylpropanoyl)carbamothioyl]amino}benzoic acid

Catalog ID
STK104441
SMILES S=C(NC(=O)C(C)(C)C)Nc1ccc(c(c1)C(=O)O)Cl

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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 C13H15ClN2O3S MW 314.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15ClN2O3S/c1-13(2,3)11(19)16-12(20)15-7-4-5-9(14)8(6-7)10(17)18/h4-6H,1-3H3,(H,17,18)(H2,15,16,19,20)
InChIKey
VUHKCUZAPQAPTH-UHFFFAOYSA-N
Synonyms

2CHLORO5((((22DIMETHYLPROPANOYL)AMINO)CARBONOTHIOYL)AMINO)BENZOICACID
2CHLORO5(((22DIMETHYLPROPANOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO5(22DIMETHYLPROPANOYLCARBAMOTHIOYLAMINO)BENZOICACID
CC(C)(C)C(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)O
InChI=1SC13H15ClN2O3Sc113(23)11(19)1612(20)157459(14)8(67)10(17)18h46H13H3(H1718)(H215161920)
MFCD03569617
ZINC000004679828
ZINC4679828

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Available files

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