Vitas-M small molecule compound
ethyl 6-[(4-tert-butylphenyl)carbonyl]-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
Catalog ID
STK770860
SMILES CCOC(=O)C12C(=O)OC(C1C2(CC)C(=O)c1ccc(cc1)C(C)(C)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 C23H30O5 MW 386.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30O5/c1-8-22(16(24)14-10-12-15(13-11-14)20(3,4)5)17-21(6,7)28-19(26)23(17,22)18(25)27-9-2/h10-13,17H,8-9H2,1-7H3InChIKey
PLDYGSKHZGDVNQ-UHFFFAOYSA-NSynonyms
474263-56-4474263564
CCC1(C2C1(C(=O)OC2(C)C)C(=O)OCC)C(=O)C3=CC=C(C=C3)C(C)(C)C
ETHYL6((4TERTBUTYLPHENYL)CARBONYL)6ETHYL44DIMETHYL2OXO3OXABICYCLO(310)HEXANE1CARBOXYLATE
ethyl6(4(tertbutyl)benzoyl)6ethyl44dimethyl2oxo3oxabicyclo(310)hexane1carboxylate
ETHYL6(4TERTBUTYLBENZOYL)6ETHYL22DIMETHYL4OXO3OXABICYCLO(310)HEXANE5CARBOXYLATE
ethyl6(4tertbutylbenzoyl)6ethyl44dimethyl2oxo3oxabicyclo(310)hexane1carboxylate
InChI=1SC23H30O5c1822(16(24)14101215(131114)20(34)5)1721(67)2819(26)23(1722)18(25)2792h101317H89H217H3
MFCD03266460
ZINC000004029770
ZINC000100129508
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