Vitas-M small molecule compound
4-methoxybenzyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402979
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])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 C29H26N2O6S MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6S/c1-17-26(29(33)37-16-18-5-11-22(36-2)12-6-18)27(19-7-9-21(10-8-19)31(34)35)28-23(30-17)14-20(15-24(28)32)25-4-3-13-38-25/h3-13,20,27,30H,14-16H2,1-2H3InChIKey
VJKUFSVISAQTRV-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl2methyl4(4nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl2methyl4(4nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1
InChI=1SC29H26N2O6Sc11726(29(33)37161851122(362)12618)27(197921(10819)31(34)35)2823(3017)1420(1524(28)32)2543133825h313202730H1416H212H3
MFCD03371005
ZINC000001438580
ZINC000001438583
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