Vitas-M small molecule compound
2-{[5-(4-bromophenyl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK656501
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nnc(n1C1CC1)c1ccc(cc1)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 C22H20BrN3O3S MW 486.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O3S/c1-28-17-9-13-10-19(20(27)16(13)11-18(17)29-2)30-22-25-24-21(26(22)15-7-8-15)12-3-5-14(23)6-4-12/h3-6,9,11,15,19H,7-8,10H2,1-2H3InChIKey
AVOUEWSUZABAEE-UHFFFAOYSA-NSynonyms
1144499-46-61144499466
2((5(4bromophenyl)4cyclopropyl124triazol3yl)sulfanyl)56dimethoxy23dihydroinden1one
2((5(4bromophenyl)4cyclopropyl4H124triazol3yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((5(4bromophenyl)4cyclopropyl4H124triazol3yl)thio)56dimethoxy23dihydro1Hinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4CC4)C5=CC=C(C=C5)Br)OC
InChI=1SC22H20BrN3O3Sc128179131019(20(27)16(13)1118(17)292)3022252421(26(22)157815)123514(23)6412h369111519H7810H212H3
MFCD12216262
ZINC000032100460
ZINC000032100464
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