Vitas-M small molecule compound
propan-2-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363731
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Br)C(=O)OC(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 C28H28BrNO6 MW 554.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrNO6/c1-14(2)36-28(32)25-15(3)30-21-9-17(16-5-7-18(33-4)8-6-16)10-22(31)27(21)26(25)19-11-23-24(12-20(19)29)35-13-34-23/h5-8,11-12,14,17,26,30H,9-10,13H2,1-4H3InChIKey
KFHKMMHGGFDJBK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Br)OCO5)C(=O)OC(C)C
InChI=1SC28H28BrNO6c114(2)3628(32)2515(3)3021917(165718(334)8616)1022(31)27(21)26(25)19112324(1220(19)29)35133423h58111214172630H91013H214H3
MFCD01571941
propan2yl4(6bromo13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(6bromo13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000059844553
ZINC000059844558
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