Vitas-M small molecule compound
methyl 4-(2-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK086524
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1Br)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(18-6-4-5-7-19(18)26)24-20(27-14)12-16(13-21(24)28)15-8-10-17(30-2)11-9-15/h4-11,16,23,27H,12-13H2,1-3H3InChIKey
UUQIBFQUDWRNPT-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4Br)C(=O)OC
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1Br)C(=O)OC)C
InChI=1SC25H24BrNO4c11422(25(29)313)23(18645719(18)26)2420(2714)1216(1321(24)28)1581017(302)11915h411162327H1213H213H3
methyl4(2bromophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2bromophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01445634
STK086524
ZINC000000659094
ZINC000000659102
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