Vitas-M small molecule compound

methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate

Catalog ID
STK029033
SMILES CCOC(=O)C(Oc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)C(=O)OC)C)C

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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 C23H22O8 MW 426.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22O8/c1-5-28-22(25)14(3)29-17-10-11-18-19(12-17)30-13(2)21(20(18)24)31-16-8-6-15(7-9-16)23(26)27-4/h6-12,14H,5H2,1-4H3
InChIKey
PBMSTXMPUJBKED-UHFFFAOYSA-N
Synonyms
300573-95-9
300573959
CCOC(=O)C(C)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)OC3=CC=C(C=C3)C(=O)OC
CCOC(=O)C(Oc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)C(=O)OC)C)C
InChI=1SC23H22O8c152822(25)14(3)291710111819(1217)3013(2)21(20(18)24)31168615(7916)23(26)274h61214H5H214H3
METHYL4((7((1ETHOXY1OXOPROPAN2YL)OXY)2METHYL4OXO4HCHROMEN3YL)OXY)BENZOATE
METHYL4((7(2ETHOXY1METHYL2OXOETHOXY)2METHYL4OXO4HCHROMEN3YL)OXY)BENZOATE
METHYL4(7(1ETHOXY1OXOPROPAN2YL)OXY2METHYL4OXOCHROMEN3YL)OXYBENZOATE
MFCD00594014
STK029033
ZINC000000978164
ZINC000000978165

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Available files

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