Vitas-M small molecule compound

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

Catalog ID
STL365035
SMILES CCN(c1ccccc1)C(=O)CSc1nnc(n1C)c1cc2c(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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-3-25(16-10-5-4-6-11-16)19(26)14-28-21-23-22-20(24(21)2)18-13-15-9-7-8-12-17(15)27-18/h4-13H,3,14H2,1-2H3
InChIKey
MHKCEVVITBTEDW-UHFFFAOYSA-N
Synonyms

2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)NethylNphenylacetamide
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)NethylNphenylacetamide
CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3
InChI=1SC21H20N4O2Sc1325(16105461116)19(26)142821232220(24(21)2)1813159781217(15)2718h413H314H212H3
MFCD09216114
ZINC000010675113
ZINC10675113

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Available files

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