Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Catalog ID
STL370287
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)Br)nnc1c1cc2c(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 C21H17BrN4O2S MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O2S/c1-2-11-26-20(18-12-14-5-3-4-6-17(14)28-18)24-25-21(26)29-13-19(27)23-16-9-7-15(22)8-10-16/h2-10,12H,1,11,13H2,(H,23,27)InChIKey
IQLPNOZVMYWHHO-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(4bromophenyl)acetamide
2((5(1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)N(4bromophenyl)acetamide
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4O3
InChI=1SC21H17BrN4O2Sc12112620(181214534617(14)2818)242521(26)291319(27)23169715(22)81016h21012H11113H2(H2327)
MFCD09476128
ZINC000015018911
ZINC15018911
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