Vitas-M small molecule compound

methyl 4-{[(2-methylpropanoyl)carbamothioyl]amino}benzoate

Catalog ID
STL063661
SMILES COC(=O)c1ccc(cc1)NC(=S)NC(=O)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 C13H16N2O3S MW 280.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O3S/c1-8(2)11(16)15-13(19)14-10-6-4-9(5-7-10)12(17)18-3/h4-8H,1-3H3,(H2,14,15,16,19)
InChIKey
MUSSUSCEQYCUNG-UHFFFAOYSA-N
Synonyms

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC
InChI=1SC13H16N2O3Sc18(2)11(16)1513(19)1410649(5710)12(17)183h48H13H3(H214151619)
methyl4(((2methylpropanoyl)carbamothioyl)amino)benzoate
METHYL4(((ISOBUTYRYLAMINO)CARBOTHIOYL)AMINO)BENZOATE
METHYL4(2METHYLPROPANOYLCARBAMOTHIOYLAMINO)BENZOATE
MFCD05656160
ZINC000002137054
ZINC02137054
ZINC2137054

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.