Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,3-dimethylphenyl)acetamide
Catalog ID
STL364269
SMILES O=C(Nc1ccc(c(c1C)C)Br)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 C21H19BrN4O2S MW 471.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O2S/c1-12-13(2)16(9-8-15(12)22)23-19(27)11-29-21-25-24-20(26(21)3)18-10-14-6-4-5-7-17(14)28-18/h4-10H,11H2,1-3H3,(H,23,27)InChIKey
RHWCQYVGPGWTEN-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)N(4bromo23dimethylphenyl)acetamide
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)N(4bromo23dimethylphenyl)acetamide
CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3
InChI=1SC21H19BrN4O2Sc11213(2)16(9815(12)22)2319(27)112921252420(26(21)3)181014645717(14)2818h410H11H213H3(H2327)
MFCD04390580
ZINC000015018980
ZINC15018980
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