Vitas-M small molecule compound
2-{[5-(5-bromo-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Catalog ID
STK139620
SMILES O=C(NC(c1ccccc1)C)CSc1nnc(n1C)c1cc2c(o1)ccc(c2)Br
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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 C21H19BrN4O2S MW 471.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O2S/c1-13(14-6-4-3-5-7-14)23-19(27)12-29-21-25-24-20(26(21)2)18-11-15-10-16(22)8-9-17(15)28-18/h3-11,13H,12H2,1-2H3,(H,23,27)InChIKey
FEWPBARTFBMDQK-UHFFFAOYSA-NSynonyms
2((5(5BROMO1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)N(1PHENYLETHYL)ACETAMIDE
2((5(5BROMO1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(1PHENYLETHYL)ACETAMIDE
CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C=CC(=C4)Br
InChI=1SC21H19BrN4O2Sc113(146435714)2319(27)122921252420(26(21)2)1811151016(22)8917(15)2818h31113H12H212H3(H2327)
MFCD04397960
ZINC000000633942
ZINC000000633944
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