Vitas-M small molecule compound
methyl 4-(3-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK028876
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)Br)C(=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 C25H24BrNO4 MW 482.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrNO4/c1-14-22(25(29)31-3)23(16-5-4-6-18(26)11-16)24-20(27-14)12-17(13-21(24)28)15-7-9-19(30-2)10-8-15/h4-11,17,23,27H,12-13H2,1-3H3InChIKey
INUUMZCIZLRCSL-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Br)C(=O)OC
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)Br)C(=O)OC)C
InChI=1SC25H24BrNO4c11422(25(29)313)23(1654618(26)1116)2420(2714)1217(1321(24)28)157919(302)10815h411172327H1213H213H3
methyl4(3bromophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3bromophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02632880
STK028876
ZINC000001201469
ZINC000001201479
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