Vitas-M small molecule compound

methyl {7-[2-(4-chlorophenyl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate

Catalog ID
STK829466
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCC(=O)c1ccc(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 C22H19ClO6 MW 414.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClO6/c1-12-16-8-9-19(28-11-18(24)14-4-6-15(23)7-5-14)13(2)21(16)29-22(26)17(12)10-20(25)27-3/h4-9H,10-11H2,1-3H3
InChIKey
PTFOYRBXHWRZQP-UHFFFAOYSA-N
Synonyms
664365-96-2
664365962
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)Cl)CC(=O)OC
InChI=1SC22H19ClO6c112168919(281118(24)144615(23)7514)13(2)21(16)2922(26)17(12)1020(25)273h49H1011H213H3
methyl(7(2(4chlorophenyl)2oxoethoxy)48dimethyl2oxo2Hchromen3yl)acetate
methyl2(7(2(4chlorophenyl)2oxoethoxy)48dimethyl2oxo2Hchromen3yl)acetate
METHYL2(7(2(4CHLOROPHENYL)2OXOETHOXY)48DIMETHYL2OXOCHROMEN3YL)ACETATE
MFCD03661799
ZINC000002346479
ZINC02346479
ZINC2346479

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Available files

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