Vitas-M small molecule compound
ethyl 4-({[(4-methyl-5-{4-[(phenoxyacetyl)amino]phenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK119639
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)COc1ccccc1
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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 C28H27N5O5S MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O5S/c1-3-37-27(36)20-11-15-22(16-12-20)30-25(35)18-39-28-32-31-26(33(28)2)19-9-13-21(14-10-19)29-24(34)17-38-23-7-5-4-6-8-23/h4-16H,3,17-18H2,1-2H3,(H,29,34)(H,30,35)InChIKey
HLSREBXGPOHPAJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4ETHYL4((((4METHYL5(4((PHENOXYACETYL)AMINO)PHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((4METHYL5(4((2PHENOXYACETYL)AMINO)PHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
Registry IDs
MFCD03870534ZINC000097995725
ZINC97995725
Check stock
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Check stock on Vitas-MAvailable files
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