Vitas-M small molecule compound
1-[4-(3-benzyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]ethanone
Catalog ID
STK441346
SMILES CC(=O)c1ccc(cc1)n1c(S)nnc1Cc1ccccc1
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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 C17H15N3OS MW 309.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3OS/c1-12(21)14-7-9-15(10-8-14)20-16(18-19-17(20)22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,22)InChIKey
FJIFFXJNISOAPF-UHFFFAOYSA-NSynonyms
1(4(3benzyl5sulfanyl4H124triazol4yl)phenyl)ethanone
1(4(3benzyl5sulfanylidene1H124triazol4yl)phenyl)ethanone
1ACETYL4(5BENZYL3SULFANYL(124TRIAZOL4YL))BENZENE
CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CC=C3
InChI=1SC17H15N3OSc112(21)147915(10814)2016(181917(20)22)11135324613h210H11H21H3(H1922)
MFCD02854279
ZINC000005495731
ZINC05495731
ZINC5495731
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