Vitas-M small molecule compound

ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl]propanoate

Catalog ID
STL463237
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCC(=O)OC(C)(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 C22H28O7 MW 404.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28O7/c1-7-26-18(23)11-9-16-13(2)15-8-10-17(14(3)20(15)28-21(16)25)27-12-19(24)29-22(4,5)6/h8,10H,7,9,11-12H2,1-6H3
InChIKey
NZRLGMQIXRTHEN-UHFFFAOYSA-N
Synonyms
858757-91-2
858757912
CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC(=O)OC(C)(C)C)C)OC1=O)C
ETHYL3(48DIMETHYL7(2((2METHYLPROPAN2YL)OXY)2OXOETHOXY)2OXOCHROMEN3YL)PROPANOATE
ethyl3(7(2(tertbutoxy)2oxoethoxy)48dimethyl2oxo2Hchromen3yl)propanoate
ethyl3(7(2tertbutoxy2oxoethoxy)48dimethyl2oxo2Hchromen3yl)propanoate
InChI=1SC22H28O7c172618(23)1191613(2)1581017(14(3)20(15)2821(16)25)271219(24)2922(45)6h810H791112H216H3
MFCD03853311
ZINC000002094714
ZINC02094714
ZINC2094714

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Available files

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