Vitas-M small molecule compound

methyl 4-({[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK152829
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)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 C13H13N3O3S2 MW 323.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3S2/c1-8-15-16-13(21-8)20-7-11(17)14-10-5-3-9(4-6-10)12(18)19-2/h3-6H,7H2,1-2H3,(H,14,17)
InChIKey
PTIJUTKEHGDJSV-UHFFFAOYSA-N
Synonyms

CC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC
InChI=1SC13H13N3O3S2c18151613(218)20711(17)1410539(4610)12(18)192h36H7H212H3(H1417)
METHYL4((((5METHYL134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5METHYL134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD02743884
ZINC000000467768
ZINC00467768
ZINC467768

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Available files

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