Vitas-M small molecule compound

methyl 2-(6-chloro-7-methoxy-2-oxo-2H-chromen-4-yl)-4-oxo-4-phenylbutanoate

Catalog ID
STK718098
SMILES COC(=O)C(c1cc(=O)oc2c1cc(Cl)c(c2)OC)CC(=O)c1ccccc1

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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 C21H17ClO6 MW 400.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClO6/c1-26-19-11-18-14(8-16(19)22)13(10-20(24)28-18)15(21(25)27-2)9-17(23)12-6-4-3-5-7-12/h3-8,10-11,15H,9H2,1-2H3
InChIKey
WPOMPZOVFTWJJL-UHFFFAOYSA-N
Synonyms
1010935-93-9
1010935939
COC1=C(C=C2C(=CC(=O)OC2=C1)C(CC(=O)C3=CC=CC=C3)C(=O)OC)Cl
InChI=1SC21H17ClO6c12619111814(816(19)22)13(1020(24)2818)15(21(25)272)917(23)126435712h38101115H9H212H3
methyl2(6chloro7methoxy2oxo2Hchromen4yl)4oxo4phenylbutanoate
methyl2(6chloro7methoxy2oxochromen4yl)4oxo4phenylbutanoate
MFCD12202583
ZINC000012391122
ZINC000012391123

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Available files

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