Vitas-M small molecule compound
ethyl 6-[(4-bromophenyl)carbonyl]-4,4,6-trimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
Catalog ID
STK771861
SMILES CCOC(=O)C12C(=O)OC(C1C2(C)C(=O)c1ccc(cc1)Br)(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 C18H19BrO5 MW 395.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrO5/c1-5-23-14(21)18-13(16(2,3)24-15(18)22)17(18,4)12(20)10-6-8-11(19)9-7-10/h6-9,13H,5H2,1-4H3InChIKey
CYZZCDDXUJCYGP-UHFFFAOYSA-NSynonyms
CCOC(=O)C12C(C1(C)C(=O)C3=CC=C(C=C3)Br)C(OC2=O)(C)C
ETHYL(1R5R6R)6(4BROMOBENZOYL)446TRIMETHYL2OXO3OXABICYCLO(310)HEXANE1CARBOXYLATE
ethyl6((4bromophenyl)carbonyl)446trimethyl2oxo3oxabicyclo(310)hexane1carboxylate
ETHYL6(4BROMOBENZOYL)226TRIMETHYL4OXO3OXABICYCLO(310)HEXANE5CARBOXYLATE
ethyl6(4bromobenzoyl)446trimethyl2oxo3oxabicyclo(310)hexane1carboxylate
InChI=1SC18H19BrO5c152314(21)1813(16(23)2415(18)22)17(184)12(20)106811(19)9710h6913H5H214H3
MFCD03767713
ZINC000004618978
ZINC000244584422
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