Vitas-M small molecule compound
3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate
Catalog ID
STK838630
SMILES Brc1ccc(cc1)C(=O)OC1=C(C)C(=O)OC(C1(C)C)c1ccccc1
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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 C21H19BrO4 MW 415.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrO4/c1-13-17(25-20(24)15-9-11-16(22)12-10-15)21(2,3)18(26-19(13)23)14-7-5-4-6-8-14/h4-12,18H,1-3H3InChIKey
PBQPLSPJDGTYCC-UHFFFAOYSA-NSynonyms
(2R)335TRIMETHYL6OXO2PHENYL36DIHYDRO2HPYRAN4YL4BROMOBENZOATE
(335TRIMETHYL6OXO2PHENYL2HPYRAN4YL)4BROMOBENZOATE
335trimethyl6oxo2phenyl36dihydro2Hpyran4yl4bromobenzoate
CC1=C(C(C(OC1=O)C2=CC=CC=C2)(C)C)OC(=O)C3=CC=C(C=C3)Br
InChI=1SC21H19BrO4c11317(2520(24)1591116(22)121015)21(23)18(2619(13)23)147546814h41218H13H3
MFCD02928860
ZINC000001183015
ZINC000001183016
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