Vitas-M small molecule compound
2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate
Catalog ID
STK768444
SMILES Brc1ccc(cc1)C1OC(=O)C(=C(C1(C)C)OC(=O)c1ccccc1)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 C21H19BrO4 MW 415.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrO4/c1-13-17(25-20(24)15-7-5-4-6-8-15)21(2,3)18(26-19(13)23)14-9-11-16(22)12-10-14/h4-12,18H,1-3H3InChIKey
CTGVFOIXEATLQC-UHFFFAOYSA-NSynonyms
(2(4BROMOPHENYL)335TRIMETHYL6OXO2HPYRAN4YL)BENZOATE
2(4bromophenyl)335trimethyl6oxo36dihydro2Hpyran4ylbenzoate
CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C)OC(=O)C3=CC=CC=C3
InChI=1SC21H19BrO4c11317(2520(24)157546815)21(23)18(2619(13)23)1491116(22)121014h41218H13H3
MFCD02637999
ZINC000000717939
ZINC000000717941
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