Vitas-M small molecule compound

2-(3,4-dimethylphenyl)-2-oxoethyl methyl bicyclo[2.2.1]heptane-2,3-dicarboxylate

Catalog ID
STK268989
SMILES COC(=O)C1C2CCC(C1C(=O)OCC(=O)c1ccc(c(c1)C)C)C2

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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 C20H24O5 MW 344.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24O5/c1-11-4-5-13(8-12(11)2)16(21)10-25-20(23)18-15-7-6-14(9-15)17(18)19(22)24-3/h4-5,8,14-15,17-18H,6-7,9-10H2,1-3H3
InChIKey
YRBNSWZOGGWIHV-UHFFFAOYSA-N
Synonyms

2(34dimethylphenyl)2oxoethylmethylbicyclo(221)heptane23dicarboxylate
3O(2(34DIMETHYLPHENYL)2OXOETHYL)2OMETHYLBICYCLO(221)HEPTANE23DICARBOXYLATE
CC1=C(C=C(C=C1)C(=O)COC(=O)C2C3CCC(C3)C2C(=O)OC)C
InChI=1SC20H24O5c1114513(812(11)2)16(21)102520(23)18157614(915)17(18)19(22)243h45814151718H67910H213H3
MFCD01577624
ZINC000102537162
ZINC000245312914

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Available files

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