Vitas-M small molecule compound
4-methoxybenzyl 7-(furan-2-yl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406092
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccco1
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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 C29H26N2O7 MW 514.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O7/c1-17-26(29(33)38-16-18-8-10-22(36-2)11-9-18)27(19-5-3-6-21(13-19)31(34)35)28-23(30-17)14-20(15-24(28)32)25-7-4-12-37-25/h3-13,20,27,30H,14-16H2,1-2H3InChIKey
PETOHSRCCALPSR-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl7(furan2yl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl7(furan2yl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccco1
InChI=1SC29H26N2O7c11726(29(33)38161881022(362)11918)27(1953621(1319)31(34)35)2823(3017)1420(1524(28)32)2574123725h313202730H1416H212H3
MFCD04216379
ZINC000001130075
ZINC000001130087
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