Vitas-M small molecule compound

3-butyl-7-[(4-chlorobenzyl)oxy]-4-methyl-2H-chromen-2-one

Catalog ID
STK997517
SMILES CCCCc1c(=O)oc2c(c1C)ccc(c2)OCc1ccc(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 C21H21ClO3 MW 356.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClO3/c1-3-4-5-19-14(2)18-11-10-17(12-20(18)25-21(19)23)24-13-15-6-8-16(22)9-7-15/h6-12H,3-5,13H2,1-2H3
InChIKey
ZNZNEBHLGNRYNV-UHFFFAOYSA-N
Synonyms
797766-66-6
3butyl7((4chlorobenzyl)oxy)4methyl2Hchromen2one
3BUTYL7((4CHLOROPHENYL)METHOXY)4METHYLCHROMEN2ONE
797766666
CCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=C(C=C3)Cl)OC1=O)C
InChI=1SC21H21ClO3c13451914(2)18111017(1220(18)2521(19)23)2413156816(22)9715h612H3513H212H3
MFCD03665024
ZINC000002370833
ZINC02370833
ZINC2370833

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Available files

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