Vitas-M small molecule compound

methyl 4-({[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)benzoate

Catalog ID
STL460443
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OCc1ccc(cc1)C(=O)OC

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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 C22H20O7 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O7/c1-13-17-9-8-16(10-19(17)29-22(25)18(13)11-20(23)26-2)28-12-14-4-6-15(7-5-14)21(24)27-3/h4-10H,11-12H2,1-3H3
InChIKey
RCEIQGFYCRTGBS-UHFFFAOYSA-N
Synonyms
858754-65-1
858754651
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OC)CC(=O)OC
InChI=1SC22H20O7c113179816(1019(17)2922(25)18(13)1120(23)262)2812144615(7514)21(24)273h410H1112H213H3
methyl4(((3(2methoxy2oxoethyl)4methyl2oxo2Hchromen7yl)oxy)methyl)benzoate
METHYL4((3(2METHOXY2OXOETHYL)4METHYL2OXOCHROMEN7YL)OXYMETHYL)BENZOATE
MFCD03852262
ZINC000002092767
ZINC02092767
ZINC2092767

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Available files

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