Vitas-M small molecule compound

methyl {[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

Catalog ID
STK842919
SMILES COC(=O)COc1ccc2c(c1)occ(c2=O)Oc1cc(C)c(c(c1)C)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 C20H17ClO6 MW 388.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClO6/c1-11-6-14(7-12(2)19(11)21)27-17-9-26-16-8-13(25-10-18(22)24-3)4-5-15(16)20(17)23/h4-9H,10H2,1-3H3
InChIKey
FCCNZWDLKDJBKQ-UHFFFAOYSA-N
Synonyms
442868-69-1
442868691
CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)OC
InChI=1SC20H17ClO6c111614(712(2)19(11)21)271792616813(251018(22)243)4515(16)20(17)23h49H10H213H3
methyl((3(4chloro35dimethylphenoxy)4oxo4Hchromen7yl)oxy)acetate
methyl2((3(4chloro35dimethylphenoxy)4oxo4Hchromen7yl)oxy)acetate
methyl2(3(4chloro35dimethylphenoxy)4oxochromen7yl)oxyacetate
MFCD02957459
ZINC000000950694
ZINC00950694
ZINC950694

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.