Vitas-M small molecule compound

4-{[(2-methylpropanoyl)carbamothioyl]amino}benzoic acid

Catalog ID
STK043729
SMILES CC(C(=O)NC(=S)Nc1ccc(cc1)C(=O)O)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 C12H14N2O3S MW 266.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O3S/c1-7(2)10(15)14-12(18)13-9-5-3-8(4-6-9)11(16)17/h3-7H,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKey
AYBTVYJGHHQYMR-UHFFFAOYSA-N
Synonyms
532938-89-9
4(((2METHYLPROPANOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4(2METHYLPROPANOYLCARBAMOTHIOYLAMINO)BENZOICACID
532938899
BENZOICACID4((((2METHYL1OXOPROPYL)AMINO)THIOXOMETHYL)AMINO)
CC(C(=O)NC(=S)Nc1ccc(cc1)C(=O)O)C
CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)O
InChI=1SC12H14N2O3Sc17(2)10(15)1412(18)139538(469)11(16)17h37H12H3(H1617)(H213141518)
MFCD03568602
STK043729
ZINC000000568693
ZINC568693

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Available files

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