Vitas-M small molecule compound

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

Catalog ID
STL294104
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1cccs1

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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/c1-21-15(13-4-3-9-25-13)19-20-17(21)26-10-14(22)18-12-7-5-11(6-8-12)16(23)24-2/h3-9H,10H2,1-2H3,(H,18,22)
InChIKey
HWTPQNNFZHGJAR-UHFFFAOYSA-N
Synonyms
557072-93-2
557072932
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CS3
InChI=1SC17H16N4O3S2c12115(134392513)192017(21)261014(22)18127511(6812)16(23)242h39H10H212H3(H1822)
methyl4((((4methyl5(thiophen2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4METHYL5THIOPHEN2YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((4METHYL5(THIOPHEN2YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((4methyl5(thiophen2yl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4METHYL5(2THIENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD03856970
ZINC000000779370
ZINC00779370
ZINC779370

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Available files

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