Vitas-M small molecule compound

N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STL364375
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nnc1c1cc2c(o1)cccc2

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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-3-26-21(19-12-16-6-4-5-7-18(16)29-19)24-25-22(26)30-13-20(28)23-17-10-8-15(9-11-17)14(2)27/h4-12H,3,13H2,1-2H3,(H,23,28)
InChIKey
PQVIMNDKBWGNJF-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)C)C3=CC4=CC=CC=C4O3
InChI=1SC22H20N4O3Sc132621(191216645718(16)2919)242522(26)301320(28)231710815(91117)14(2)27h412H313H212H3(H2328)
MFCD09476175
N(4acetylphenyl)2((5(1benzofuran2yl)4ethyl124triazol3yl)sulfanyl)acetamide
N(4acetylphenyl)2((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)acetamide
ZINC000008784777
ZINC08784777
ZINC8784777

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Available files

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