Vitas-M small molecule compound
propan-2-yl 4-(2-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK025153
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1Br)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 C27H28BrNO4 MW 510.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO4/c1-15(2)33-27(31)24-16(3)29-22-13-18(17-9-11-19(32-4)12-10-17)14-23(30)26(22)25(24)20-7-5-6-8-21(20)28/h5-12,15,18,25,29H,13-14H2,1-4H3InChIKey
MDMIADAUAMEEGS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4Br)C(=O)OC(C)C
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1Br)C(=O)OC(C)C)C
InChI=1SC27H28BrNO4c115(2)3327(31)2416(3)29221318(1791119(324)121017)1423(30)26(22)25(24)20756821(20)28h51215182529H1314H214H3
MFCD02632890
propan2yl4(2bromophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(2bromophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK025153
ZINC000001201664
ZINC000001201674
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