Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Catalog ID
STL370282
SMILES O=C(NC(c1ccccc1)C)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/c1-14(15-8-4-3-5-9-15)22-19(26)13-28-21-24-23-20(25(21)2)18-12-16-10-6-7-11-17(16)27-18/h3-12,14H,13H2,1-2H3,(H,22,26)InChIKey
KFWSEPYFNITILS-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)N(1phenylethyl)acetamide
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)N(1phenylethyl)acetamide
CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3
InChI=1SC21H20N4O2Sc114(158435915)2219(26)132821242320(25(21)2)18121610671117(16)2718h31214H13H212H3(H2226)
MFCD09476200
ZINC000015018984
ZINC000015018985
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