Vitas-M small molecule compound
methyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK064732
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CC(C2)c1cccs1
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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 C29H27NO4S MW 485.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4S/c1-18-26(29(32)33-2)27(20-10-6-11-22(14-20)34-17-19-8-4-3-5-9-19)28-23(30-18)15-21(16-24(28)31)25-12-7-13-35-25/h3-14,21,27,30H,15-17H2,1-2H3InChIKey
BPOZOAGOPKFKDE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CC(C2)c1cccs1
InChI=1SC29H27NO4Sc11826(29(32)332)27(201061122(1420)3417198435919)2823(3018)1521(1624(28)31)25127133525h314212730H1517H212H3
methyl2methyl5oxo4(3phenylmethoxyphenyl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
methyl4(3(benzyloxy)phenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
MFCD02188197
STK064732
ZINC000000717042
ZINC000000717045
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