Vitas-M small molecule compound
1-(azepan-1-yl)-2-{[4-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL376546
SMILES Fc1ccc(cc1)n1c(SCC(=O)N2CCCCCC2)nnc1c1ccccc1
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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 C22H23FN4OS MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN4OS/c23-18-10-12-19(13-11-18)27-21(17-8-4-3-5-9-17)24-25-22(27)29-16-20(28)26-14-6-1-2-7-15-26/h3-5,8-13H,1-2,6-7,14-16H2InChIKey
JSWMODQNRIUIIL-UHFFFAOYSA-NSynonyms
1(AZEPAN1YL)2((4(4FLUOROPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(azepan1yl)2((4(4fluorophenyl)5phenyl4H124triazol3yl)sulfanyl)ethanone
C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI=1SC22H23FN4OSc2318101219(131118)2721(178435917)242522(27)291620(28)261461271526h35813H12671416H2
MFCD04643900
ZINC000001112804
ZINC01112804
ZINC1112804
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