Vitas-M small molecule compound

methyl 4-[({[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK129701
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1oc2c(c1)cccc2OC

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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/c1-4-27-21(18-12-15-6-5-7-17(30-2)20(15)32-18)25-26-23(27)33-13-19(28)24-16-10-8-14(9-11-16)22(29)31-3/h5-12H,4,13H2,1-3H3,(H,24,28)
InChIKey
UOHDXVXWNPUBFX-UHFFFAOYSA-N
Synonyms

4(2(4ETHYL5(7METHOXYBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYLESTER
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC23H22N4O5Sc142721(18121565717(302)20(15)3218)252623(27)331319(28)241610814(91116)22(29)313h512H413H213H3(H2428)
METHYL4((((4ETHYL5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4ETHYL5(7METHOXY1BENZOFURAN2YL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04340887
ZINC000009260661
ZINC09260661
ZINC9260661

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Available files

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