Vitas-M small molecule compound
ethyl 3-[({[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK138369
SMILES CCOC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1C)c1cc2c(o1)c(OC)ccc2
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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 C23H22N4O5S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5S/c1-4-31-22(29)15-8-5-9-16(11-15)24-19(28)13-33-23-26-25-21(27(23)2)18-12-14-7-6-10-17(30-3)20(14)32-18/h5-12H,4,13H2,1-3H3,(H,24,28)InChIKey
UHEUIMSGBZXCMM-UHFFFAOYSA-NSynonyms
3(2(5(7METHOXYBENZOFURAN2YL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDETHYLESTER
CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC
ETHYL3((((5(7METHOXY1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL3((2((5(7METHOXY1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC23H22N4O5Sc143122(29)1585916(1115)2419(28)133323262521(27(23)2)181214761017(303)20(14)3218h512H413H213H3(H2428)
MFCD05991940
ZINC000002859234
ZINC02859234
ZINC2859234
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