Vitas-M small molecule compound

4-(methoxycarbonyl)phenyl 4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate

Catalog ID
STK855646
SMILES COC(=O)c1ccc(cc1)OC(=O)C12CCC(C2(C)C)(C(=O)C1=O)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 C19H20O6 MW 344.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20O6/c1-17(2)18(3)9-10-19(17,14(21)13(18)20)16(23)25-12-7-5-11(6-8-12)15(22)24-4/h5-8H,9-10H2,1-4H3
InChIKey
LIUWPTDFIBNXQU-UHFFFAOYSA-N
Synonyms
622355-80-0
(4METHOXYCARBONYLPHENYL)177TRIMETHYL23DIOXOBICYCLO(221)HEPTANE4CARBOXYLATE
4(methoxycarbonyl)phenyl477trimethyl23dioxobicyclo(221)heptane1carboxylate
622355800
CC1(C2(CCC1(C(=O)C2=O)C(=O)OC3=CC=C(C=C3)C(=O)OC)C)C
InChI=1SC19H20O6c117(2)18(3)91019(1714(21)13(18)20)16(23)25127511(6812)15(22)244h58H910H214H3
MFCD06289867
ZINC000006764594

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Available files

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