Vitas-M small molecule compound

dimethyl 5-{[(3-methylpyridin-2-yl)carbamothioyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK206997
SMILES COC(=O)c1cc(NC(=S)Nc2ncccc2C)cc(c1)C(=O)OC

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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 C17H17N3O4S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4S/c1-10-5-4-6-18-14(10)20-17(25)19-13-8-11(15(21)23-2)7-12(9-13)16(22)24-3/h4-9H,1-3H3,(H2,18,19,20,25)
InChIKey
RDZUTURHYKOUDY-UHFFFAOYSA-N
Synonyms

CC1=C(N=CC=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
dimethyl5(((3methylpyridin2yl)carbamothioyl)amino)benzene13dicarboxylate
DIMETHYL5((3METHYLPYRIDIN2YL)CARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC17H17N3O4Sc1105461814(10)2017(25)1913811(15(21)232)712(913)16(22)243h49H13H3(H218192025)
METHYL3(METHOXYCARBONYL)5((((3METHYL(2PYRIDYL))AMINO)THIOXOMETHYL)AMINO)BENZOATE
MFCD06631591
ZINC000002886333
ZINC02886333
ZINC2886333

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Available files

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