Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
Catalog ID
STL365096
SMILES O=C(Nc1cccc2c1CCCC2)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 C23H22N4O2S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S/c1-27-22(20-13-16-8-3-5-12-19(16)29-20)25-26-23(27)30-14-21(28)24-18-11-6-9-15-7-2-4-10-17(15)18/h3,5-6,8-9,11-13H,2,4,7,10,14H2,1H3,(H,24,28)InChIKey
KPGUJCFNUWZOAW-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)N(5678tetrahydronaphthalen1yl)acetamide
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)N(5678tetrahydronaphthalen1yl)acetamide
CN1C(=NN=C1SCC(=O)NC2=CC=CC3=C2CCCC3)C4=CC5=CC=CC=C5O4
InChI=1SC23H22N4O2Sc12722(2013168351219(16)2920)252623(27)301421(28)24181169157241017(15)18h356891113H2471014H21H3(H2428)
MFCD09217101
ZINC000010681767
ZINC10681767
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