Vitas-M small molecule compound

dimethyl 5-{[(pyrimidin-2-ylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK467809
SMILES COC(=O)c1cc(NC(=O)CSc2ncccn2)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 C16H15N3O5S MW 361.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5S/c1-23-14(21)10-6-11(15(22)24-2)8-12(7-10)19-13(20)9-25-16-17-4-3-5-18-16/h3-8H,9H2,1-2H3,(H,19,20)
InChIKey
WRDSHGUEIXSCFG-UHFFFAOYSA-N
Synonyms
569633-18-7
569633187
COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=CC=N2)C(=O)OC
dimethyl5(((pyrimidin2ylsulfanyl)acetyl)amino)benzene13dicarboxylate
DIMETHYL5((2PYRIMIDIN2YLSULFANYLACETYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC16H15N3O5Sc12314(21)10611(15(22)242)812(710)1913(20)92516174351816h38H9H212H3(H1920)
METHYL3(METHOXYCARBONYL)5(2PYRIMIDIN2YLTHIOACETYLAMINO)BENZOATE
MFCD04714208
ZINC000002647576
ZINC02647576
ZINC2647576

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Available files

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