Vitas-M small molecule compound

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

Catalog ID
STK716888
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(cc1Cl)F

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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 C21H18ClFO5 MW 404.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFO5/c1-11-15-6-7-18(27-10-13-4-5-14(23)8-17(13)22)12(2)20(15)28-21(25)16(11)9-19(24)26-3/h4-8H,9-10H2,1-3H3
InChIKey
VFKOBTAINXOWSC-UHFFFAOYSA-N
Synonyms
577982-19-5
577982195
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)F)Cl)CC(=O)OC
InChI=1SC21H18ClFO5c111156718(2710134514(23)817(13)22)12(2)20(15)2821(25)16(11)919(24)263h48H910H213H3
methyl(7((2chloro4fluorobenzyl)oxy)48dimethyl2oxo2Hchromen3yl)acetate
methyl2(7((2chloro4fluorobenzyl)oxy)48dimethyl2oxo2Hchromen3yl)acetate
METHYL2(7((2CHLORO4FLUOROPHENYL)METHOXY)48DIMETHYL2OXOCHROMEN3YL)ACETATE
MFCD04021598
ZINC000002335815
ZINC02335815
ZINC2335815

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Available files

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