Vitas-M small molecule compound

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

Catalog ID
STK523915
SMILES COC(=O)c1ccc2c(c1)sc(n2)NC(=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 C17H16N4O3S2 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3S2/c1-9-6-10(2)19-16(18-9)25-8-14(22)21-17-20-12-5-4-11(15(23)24-3)7-13(12)26-17/h4-7H,8H2,1-3H3,(H,20,21,22)
InChIKey
MZLZGQIOPRFFJM-UHFFFAOYSA-N
Synonyms

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)C
InChI=1SC17H16N4O3S2c19610(2)1916(189)25814(22)211720125411(15(23)243)713(12)2617h47H8H213H3(H202122)
methyl2((((46dimethylpyrimidin2yl)sulfanyl)acetyl)amino)13benzothiazole6carboxylate
METHYL2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
MFCD00745532
ZINC000003090162
ZINC03090162
ZINC3090162

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Available files

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