Vitas-M small molecule compound
2-phenylethyl 4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK059276
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)c1ccccc1)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)36-17-16-21-10-4-2-5-11-21)29(24-14-8-9-15-25(24)32)30-26(33-20)18-23(19-27(30)34)22-12-6-3-7-13-22/h2-15,23,29,33H,16-19H2,1H3InChIKey
PSEGBKZOETTZMQ-UHFFFAOYSA-NSynonyms
2phenylethyl4(2bromophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl4(2bromophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4Br)C(=O)OCCC5=CC=CC=C5
InChI=1SC31H28BrNO3c12028(31(35)36171621104251121)29(2414891525(24)32)3026(3320)1823(1927(30)34)22126371322h215232933H1619H21H3
MFCD01445577
O=C(C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)c1ccccc1)OCCc1ccccc1
STK059276
ZINC000002757464
ZINC000002757467
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