Vitas-M small molecule compound

dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK226347
SMILES COC(=O)c1cc(NC(=O)CSC2=NCCS2)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 C15H16N2O5S2 MW 368.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O5S2/c1-21-13(19)9-5-10(14(20)22-2)7-11(6-9)17-12(18)8-24-15-16-3-4-23-15/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKey
ZKRBXVRRIKFWEO-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NCCS2)C(=O)OC
dimethyl5(((45dihydro13thiazol2ylsulfanyl)acetyl)amino)benzene13dicarboxylate
DIMETHYL5(((45DIHYDRO13THIAZOL2YLTHIO)ACETYL)AMINO)ISOPHTHALATE
DIMETHYL5((2(45DIHYDRO13THIAZOL2YLSULFANYL)ACETYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC15H16N2O5S2c12113(19)9510(14(20)222)711(69)1712(18)8241516342315h57H348H212H3(H1718)
MFCD06003193
ZINC000003105600
ZINC03105600
ZINC3105600

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Available files

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