Vitas-M small molecule compound
3-{[(2,2-dimethylpropanoyl)carbamothioyl]amino}-4-methylbenzoic acid
Catalog ID
STL377655
SMILES S=C(Nc1cc(ccc1C)C(=O)O)NC(=O)C(C)(C)C
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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/c1-8-5-6-9(11(17)18)7-10(8)15-13(20)16-12(19)14(2,3)4/h5-7H,1-4H3,(H,17,18)(H2,15,16,19,20)InChIKey
OMUGEQOBAUGTAD-UHFFFAOYSA-NSynonyms
590397-43-63((((22DIMETHYLPROPANOYL)AMINO)CARBOTHIOYL)AMINO)4METHYLBENZOICACID
3(((22dimethylpropanoyl)carbamothioyl)amino)4methylbenzoicacid
3(22DIMETHYLPROPANOYLCARBAMOTHIOYLAMINO)4METHYLBENZOICACID
590397436
BENZOICACID3((((22DIMETHYL1OXOPROPYL)AMINO)THIOXOMETHYL)AMINO)4METHYL
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C)(C)C
InChI=1SC14H18N2O3Sc18569(11(17)18)710(8)1513(20)1612(19)14(23)4h57H14H3(H1718)(H215161920)
MFCD03784825
ZINC000000361485
ZINC361485
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