Vitas-M small molecule compound
methyl 2-({[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK036894
SMILES CCCCc1nnc([nH]1)SCC(=O)Nc1ccccc1C(=O)OC
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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/c1-3-4-9-13-18-16(20-19-13)24-10-14(21)17-12-8-6-5-7-11(12)15(22)23-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,19,20)InChIKey
GTCQEHBADUAMDU-UHFFFAOYSA-NSynonyms
CCCCC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)OC
CCCCc1nnc((nH)1)SCC(=O)Nc1ccccc1C(=O)OC
InChI=1SC16H20N4O3Sc1349131816(201913)241014(21)1712865711(12)15(22)232h58H34910H212H3(H1721)(H181920)
METHYL2((((5BUTYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((5BUTYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD02872932
STK036894
ZINC000018323517
ZINC18323517
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