Vitas-M small molecule compound
1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one
Catalog ID
STL483205
SMILES COc1cc2c(cc1OC)CC(=O)OC2c1ccc(cc1)Cl
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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 C17H15ClO4 MW 318.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClO4/c1-20-14-7-11-8-16(19)22-17(13(11)9-15(14)21-2)10-3-5-12(18)6-4-10/h3-7,9,17H,8H2,1-2H3InChIKey
NQAHVVBTVWYTED-UHFFFAOYSA-NSynonyms
167475-75-41(4chlorophenyl)67dimethoxy14dihydro3Hisochromen3one
1(4CHLOROPHENYL)67DIMETHOXY14DIHYDROISOCHROMEN3ONE
167475754
COC1=C(C=C2C(OC(=O)CC2=C1)C3=CC=C(C=C3)Cl)OC
InChI=1SC17H15ClO4c12014711816(19)2217(13(11)915(14)212)103512(18)6410h37917H8H212H3
MFCD02323996
ZINC000003164266
ZINC000003164267
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