Vitas-M small molecule compound
2-phenylethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK019081
SMILES COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1
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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 C27H28BrNO5 MW 526.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO5/c1-16-24(27(31)34-13-12-17-8-5-4-6-9-17)25(26-20(29-16)10-7-11-21(26)30)18-14-22(32-2)23(33-3)15-19(18)28/h4-6,8-9,14-15,25,29H,7,10-13H2,1-3H3InChIKey
FSSTVTSRHRIJES-UHFFFAOYSA-NSynonyms
2phenylethyl4(2bromo45dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(2bromo45dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3Br)OC)OC)C(=O)OCCC4=CC=CC=C4
COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1
InChI=1SC27H28BrNO5c11624(27(31)341312178546917)25(2620(2916)1071121(26)30)181422(322)23(333)1519(18)28h468914152529H71013H213H3
MFCD02188582
STK019081
ZINC000001220881
ZINC000001220882
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