Vitas-M small molecule compound

2-{[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one

Catalog ID
STK653167
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nnc(o1)c1ccccc1Br

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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 C19H15BrN2O4S MW 447.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN2O4S/c1-24-14-7-10-8-16(17(23)12(10)9-15(14)25-2)27-19-22-21-18(26-19)11-5-3-4-6-13(11)20/h3-7,9,16H,8H2,1-2H3
InChIKey
JPTRVICPIPFGNE-UHFFFAOYSA-N
Synonyms
1144428-35-2
1144428352
2((5(2bromophenyl)134oxadiazol2yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((5(2bromophenyl)134oxadiazol2yl)sulfanyl)56dimethoxy23dihydroinden1one
2((5(2bromophenyl)134oxadiazol2yl)thio)56dimethoxy23dihydro1Hinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(O3)C4=CC=CC=C4Br)OC
InChI=1SC19H15BrN2O4Sc12414710816(17(23)12(10)915(14)252)2719222118(2619)11534613(11)20h37916H8H212H3
MFCD12217094
ZINC000032102676
ZINC000032102678

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Available files

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