Vitas-M small molecule compound
2-(1,3-benzoxazol-2-ylsulfanyl)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK649663
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nc2c(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 C18H15NO4S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO4S/c1-21-14-7-10-8-16(17(20)11(10)9-15(14)22-2)24-18-19-12-5-3-4-6-13(12)23-18/h3-7,9,16H,8H2,1-2H3InChIKey
XDZDBAFMMODUMT-UHFFFAOYSA-NSynonyms
1144460-27-41144460274
2(13benzoxazol2ylsulfanyl)56dimethoxy23dihydro1Hinden1one
2(13benzoxazol2ylsulfanyl)56dimethoxy23dihydroinden1one
2(benzo(d)oxazol2ylthio)56dimethoxy23dihydro1Hinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC4=CC=CC=C4O3)OC
InChI=1SC18H15NO4Sc12114710816(17(20)11(10)915(14)222)24181912534613(12)2318h37916H8H212H3
MFCD12214101
ZINC000032092849
ZINC000032092851
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