Vitas-M small molecule compound
propan-2-yl 4-(4-bromo-2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405298
SMILES COc1cc(Br)c(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC(C)C)OC
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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 C26H28BrNO5S MW 546.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28BrNO5S/c1-13(2)33-26(30)23-14(3)28-18-9-15(22-7-6-8-34-22)10-19(29)25(18)24(23)16-11-21(32-5)17(27)12-20(16)31-4/h6-8,11-13,15,24,28H,9-10H2,1-5H3InChIKey
BEXWGMIAOUADRX-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4OC)Br)OC)C(=O)OC(C)C
InChI=1SC26H28BrNO5Sc113(2)3326(30)2314(3)2818915(227683422)1019(29)25(18)24(23)161121(325)17(27)1220(16)314h681113152428H910H215H3
MFCD03999202
propan2yl4(4bromo25dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl4(4bromo25dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000001140821
ZINC000001140824
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