Vitas-M small molecule compound
methyl 6-bromo-4-[1-(4-methylphenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-chromene-3-carboxylate
Catalog ID
STK772843
SMILES CCC(C1C(C(=O)OC)C(=O)Oc2c1cc(Br)cc2)C(=O)c1ccc(cc1)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 C22H21BrO5 MW 445.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrO5/c1-4-15(20(24)13-7-5-12(2)6-8-13)18-16-11-14(23)9-10-17(16)28-22(26)19(18)21(25)27-3/h5-11,15,18-19H,4H2,1-3H3InChIKey
NNCHOCPXJJOWSP-UHFFFAOYSA-NSynonyms
CCC(C1C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)OC)C(=O)C3=CC=C(C=C3)C
InChI=1SC22H21BrO5c1415(20(24)137512(2)6813)18161114(23)91017(16)2822(26)19(18)21(25)273h511151819H4H213H3
METHYL6BROMO4(1((4METHYLPHENYL)CARBONYL)PROPYL)2OXO34DIHYDRO2HCHROMENE3CARBOXYLATE
methyl6bromo4(1(4methylphenyl)1oxobutan2yl)2oxo34dihydro2Hchromene3carboxylate
METHYL6BROMO4(1(4METHYLPHENYL)1OXOBUTAN2YL)2OXO34DIHYDROCHROMENE3CARBOXYLATE
MFCD03820866
ZINC000008869887
ZINC000245235795
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