Vitas-M small molecule compound
2-phenoxyethyl 4-(3-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK030768
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)Br)C(=O)OCCOc1ccccc1)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 C32H30BrNO5 MW 588.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30BrNO5/c1-20-29(32(36)39-16-15-38-26-9-4-3-5-10-26)30(22-7-6-8-24(33)17-22)31-27(34-20)18-23(19-28(31)35)21-11-13-25(37-2)14-12-21/h3-14,17,23,30,34H,15-16,18-19H2,1-2H3InChIKey
LSOACLULIXGMFQ-UHFFFAOYSA-NSynonyms
312586-01-92phenoxyethyl4(3bromophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(3bromophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
312586019
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Br)C(=O)OCCOC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)Br)C(=O)OCCOc1ccccc1)C
InChI=1SC32H30BrNO5c12029(32(36)391615382694351026)30(2276824(33)1722)3127(3420)1823(1928(31)35)21111325(372)141221h31417233034H15161819H212H3
MFCD01823605
STK030768
ZINC000002757842
ZINC000002757845
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