Vitas-M small molecule compound
3-[(3,4-dimethylphenyl)amino]-6,7-didehydro-2-benzofuran-1(3H)-one
Catalog ID
STK878298
SMILES O=C1OC(C2=C1C#CC=C2)Nc1ccc(c(c1)C)C
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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 C16H13NO2 MW 251.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO2/c1-10-7-8-12(9-11(10)2)17-15-13-5-3-4-6-14(13)16(18)19-15/h3,5,7-9,15,17H,1-2H3InChIKey
BUKXFUGXMSEKOI-UHFFFAOYSA-NSynonyms
3((34dimethylphenyl)amino)67didehydro2benzofuran1(3H)one
3(34dimethylanilino)67didehydro3H2benzofuran1one
CC1=C(C=C(C=C1)NC2C3=C(C#CC=C3)C(=O)O2)C
InChI=1SC16H13NO2c1107812(911(10)2)171513534614(13)16(18)1915h35791517H12H3
MFCD18170260
ZINC000102813297
ZINC000102813300
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