Vitas-M small molecule compound
methyl 4-[({[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK000071
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc([nH]1)CC(C)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 C16H20N4O3S MW 348.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3S/c1-10(2)8-13-18-16(20-19-13)24-9-14(21)17-12-6-4-11(5-7-12)15(22)23-3/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,19,20)InChIKey
JQZYDFQNDOOZLJ-UHFFFAOYSA-NSynonyms
694469-38-0694469380
CC(C)CC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC
COC(=O)c1ccc(cc1)NC(=O)CSc1nnc((nH)1)CC(C)C
InChI=1SC16H20N4O3Sc110(2)8131816(201913)24914(21)17126411(5712)15(22)233h4710H89H213H3(H1721)(H181920)
METHYL4((((5(2METHYLPROPYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5(2METHYLPROPYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD03613155
STK000071
ZINC000005685988
ZINC05685988
ZINC5685988
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