Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethanone
Catalog ID
STL365049
SMILES 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 C22H19BrN4O2S MW 483.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O2S/c1-2-26-21(19-12-15-5-3-4-6-18(15)29-19)24-25-22(26)30-13-20(28)27-10-9-14-11-16(23)7-8-17(14)27/h3-8,11-12H,2,9-10,13H2,1H3InChIKey
BTEBXYWORBAFHE-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4ethyl124triazol3yl)sulfanyl)1(5bromo23dihydroindol1yl)ethanone
2((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)1(5bromo23dihydro1Hindol1yl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCC3=C2C=CC(=C3)Br)C4=CC5=CC=CC=C5O4
InChI=1SC22H19BrN4O2Sc122621(191215534618(15)2919)242522(26)301320(28)27109141116(23)7817(14)27h381112H291013H21H3
MFCD09216131
ZINC000010675308
ZINC10675308
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