Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Catalog ID
STL364257
SMILES CCc1ccccc1NC(=O)CSc1nnc(n1CC)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-3-15-9-5-7-11-17(15)23-20(27)14-29-22-25-24-21(26(22)4-2)19-13-16-10-6-8-12-18(16)28-19/h5-13H,3-4,14H2,1-2H3,(H,23,27)InChIKey
XAGVFVLLXBOAKN-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4ethyl124triazol3yl)sulfanyl)N(2ethylphenyl)acetamide
2((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)N(2ethylphenyl)acetamide
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=CC4=CC=CC=C4O3
InChI=1SC22H22N4O2Sc13159571117(15)2320(27)142922252421(26(22)42)19131610681218(16)2819h513H3414H212H3(H2327)
MFCD04405473
ZINC000006356442
ZINC06356442
ZINC6356442
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