Vitas-M small molecule compound
methyl 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
STK004435
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1OC)Br)C(=O)CC(C2)c1cccs1
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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 C24H24BrNO5S MW 518.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrNO5S/c1-12-21(24(28)31-4)22(14-10-19(30-3)15(25)11-18(14)29-2)23-16(26-12)8-13(9-17(23)27)20-6-5-7-32-20/h5-7,10-11,13,22,26H,8-9H2,1-4H3InChIKey
MSQOICRCMLBJKB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4OC)Br)OC)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1OC)Br)C(=O)CC(C2)c1cccs1
InChI=1SC24H24BrNO5Sc11221(24(28)314)22(141019(303)15(25)1118(14)292)2316(2612)813(917(23)27)206573220h571011132226H89H214H3
methyl4(4bromo25dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(4bromo25dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD02188195
STK004435
ZINC000001089465
ZINC000001089468
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