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}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethanone
Catalog ID
STL365053
SMILES C=CCn1c(nnc1c1cc2c(o1)cccc2)SCC(=O)N1CCc2c1ccc(c2)Br
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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 C23H19BrN4O2S MW 495.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O2S/c1-2-10-28-22(20-13-16-5-3-4-6-19(16)30-20)25-26-23(28)31-14-21(29)27-11-9-15-12-17(24)7-8-18(15)27/h2-8,12-13H,1,9-11,14H2InChIKey
KPUBJWXKKITGNH-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(5bromo23dihydro1Hindol1yl)ethanone
2((5(1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)1(5bromo23dihydroindol1yl)ethanone
C=CCN1C(=NN=C1SCC(=O)N2CCC3=C2C=CC(=C3)Br)C4=CC5=CC=CC=C5O4
InChI=1SC23H19BrN4O2Sc12102822(201316534619(16)3020)252623(28)311421(29)27119151217(24)7818(15)27h281213H191114H2
MFCD09216138
ZINC000010675400
ZINC10675400
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