Vitas-M small molecule compound

3,5-dimethylphenyl 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate

Catalog ID
STK850797
SMILES Cc1cc(cc(c1)C)OC(=O)C12CCC(C2(C)C)(C(=O)C1)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 C19H24O3 MW 300.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24O3/c1-12-8-13(2)10-14(9-12)22-16(21)19-7-6-18(5,15(20)11-19)17(19,3)4/h8-10H,6-7,11H2,1-5H3
InChIKey
MVORXRJQBSRDPV-UHFFFAOYSA-N
Synonyms
618402-00-9
(1S4S)35dimethylphenyl477trimethyl3oxobicyclo(221)heptane1carboxylate
(35DIMETHYLPHENYL)177TRIMETHYL2OXOBICYCLO(221)HEPTANE4CARBOXYLATE
35dimethylphenyl477trimethyl3oxobicyclo(221)heptane1carboxylate
618402009
CC1=CC(=CC(=C1)OC(=O)C23CCC(C2(C)C)(C(=O)C3)C)C
InChI=1SC19H24O3c112813(2)1014(912)2216(21)197618(515(20)1119)17(193)4h810H6711H215H3
MFCD06278076
ZINC000004820292

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Available files

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