Vitas-M small molecule compound
2-phenylethyl 4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK054436
SMILES Brc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1
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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 C31H28BrNO3 MW 542.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrNO3/c1-20-28(31(35)36-16-15-21-9-4-2-5-10-21)29(23-13-8-14-25(32)17-23)30-26(33-20)18-24(19-27(30)34)22-11-6-3-7-12-22/h2-14,17,24,29,33H,15-16,18-19H2,1H3InChIKey
ZHXRQCPTRAZMCK-UHFFFAOYSA-NSynonyms
2phenylethyl4(3bromophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl4(3bromophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
Brc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)OCCC5=CC=CC=C5
InChI=1SC31H28BrNO3c12028(31(35)3616152194251021)29(231381425(32)1723)3026(3320)1824(1927(30)34)22116371222h21417242933H15161819H21H3
MFCD01445584
STK054436
ZINC000002758063
ZINC000002758066
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