Vitas-M small molecule compound
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK002172
SMILES CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC)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 C26H25BrClNO5 MW 546.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrClNO5/c1-4-34-21-12-16(9-18(27)25(21)31)23-22(26(32)33-3)13(2)29-19-10-15(11-20(30)24(19)23)14-5-7-17(28)8-6-14/h5-9,12,15,23,29,31H,4,10-11H2,1-3H3InChIKey
QFFUMWYJDFGFQK-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC)C)Br)O
CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC)C
InChI=1SC26H25BrClNO5c1434211216(918(27)25(21)31)2322(26(32)333)13(2)29191015(1120(30)24(19)23)145717(28)8614h591215232931H41011H213H3
methyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01445566
STK002172
ZINC000004067505
ZINC000004067508
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