Vitas-M small molecule compound

ethyl 2-{[({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetyl]amino}-1,3-benzothiazole-6-carboxylate

Catalog ID
STK231324
SMILES CCOC(=O)c1ccc2c(c1)sc(n2)NC(=O)COC(=O)CSc1nc(C)cc(n1)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 C20H20N4O5S2 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S2/c1-4-28-18(27)13-5-6-14-15(8-13)31-20(23-14)24-16(25)9-29-17(26)10-30-19-21-11(2)7-12(3)22-19/h5-8H,4,9-10H2,1-3H3,(H,23,24,25)
InChIKey
HYVBVRPNMUPXBK-UHFFFAOYSA-N
Synonyms
311788-80-4
311788804
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C)C
ETHYL2((((((46DIMETHYLPYRIMIDIN2YL)SULFANYL)ACETYL)OXY)ACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
ETHYL2(((2((46DIMETHYLPYRIMIDIN2YL)SULFANYL)ACETOXY)ACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
ETHYL2((2(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)OXYACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
InChI=1SC20H20N4O5S2c142818(27)13561415(813)3120(2314)2416(25)92917(26)1030192111(2)712(3)2219h58H4910H213H3(H232425)
MFCD01239921
ZINC000001661691
ZINC01661691
ZINC1661691

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Available files

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