Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-[2-(benzyloxy)phenyl]-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406138
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccco1)OCC1CCCO1
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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 C33H33NO6 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO6/c1-21-30(33(36)40-20-24-11-7-15-37-24)31(25-12-5-6-13-29(25)39-19-22-9-3-2-4-10-22)32-26(34-21)17-23(18-27(32)35)28-14-8-16-38-28/h2-6,8-10,12-14,16,23-24,31,34H,7,11,15,17-20H2,1H3InChIKey
OYOGYIPDHKETCV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)OCC6CCCO6
InChI=1SC33H33NO6c12130(33(36)402024117153724)31(2512561329(25)39192293241022)3226(3421)1723(1827(32)35)28148163828h2681012141623243134H711151720H21H3
MFCD05986599
oxolan2ylmethyl7(furan2yl)2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(2(benzyloxy)phenyl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000059595935
ZINC000059595947
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