Vitas-M small molecule compound
5,6-dimethoxy-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2,3-dihydro-1H-inden-1-one
Catalog ID
STK658040
SMILES COc1ccc(cc1)Cc1nnc(o1)SC1Cc2c(C1=O)cc(c(c2)OC)OC
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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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-25-14-6-4-12(5-7-14)8-19-22-23-21(28-19)29-18-10-13-9-16(26-2)17(27-3)11-15(13)20(18)24/h4-7,9,11,18H,8,10H2,1-3H3InChIKey
ZFYYIVMQJREXLJ-UHFFFAOYSA-NSynonyms
1144499-83-11144499831
56dimethoxy2((5((4methoxyphenyl)methyl)134oxadiazol2yl)sulfanyl)23dihydroinden1one
56dimethoxy2((5(4methoxybenzyl)134oxadiazol2yl)sulfanyl)23dihydro1Hinden1one
56dimethoxy2((5(4methoxybenzyl)134oxadiazol2yl)thio)23dihydro1Hinden1one
COC1=CC=C(C=C1)CC2=NN=C(O2)SC3CC4=CC(=C(C=C4C3=O)OC)OC
InChI=1SC21H20N2O5Sc125146412(5714)819222321(2819)29181013916(262)17(273)1115(13)20(18)24h4791118H810H213H3
MFCD12216397
ZINC000032100879
ZINC000032100881
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