Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethanone
Catalog ID
STL365041
SMILES Brc1ccc2c(c1)CCN2C(=O)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 C21H17BrN4O2S MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O2S/c1-25-20(18-11-14-4-2-3-5-17(14)28-18)23-24-21(25)29-12-19(27)26-9-8-13-10-15(22)6-7-16(13)26/h2-7,10-11H,8-9,12H2,1H3InChIKey
JGHRKDXFIMLIRA-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)1(5bromo23dihydroindol1yl)ethanone
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)1(5bromo23dihydro1Hindol1yl)ethanone
CN1C(=NN=C1SCC(=O)N2CCC3=C2C=CC(=C3)Br)C4=CC5=CC=CC=C5O4
InChI=1SC21H17BrN4O2Sc12520(181114423517(14)2818)232421(25)291219(27)2698131015(22)6716(13)26h271011H8912H21H3
MFCD09216121
ZINC000010675181
ZINC10675181
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