Vitas-M small molecule compound
4-methoxybenzyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK083215
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)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 C30H28N2O6S MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O6S/c1-17-6-9-20(14-24(17)32(35)36)28-27(30(34)38-16-19-7-10-22(37-3)11-8-19)18(2)31-23-13-21(15-25(33)29(23)28)26-5-4-12-39-26/h4-12,14,21,28,31H,13,15-16H2,1-3H3InChIKey
SDWBMPBMTSEMQR-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl2methyl4(4methyl3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl2methyl4(4methyl3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5=CC=C(C=C5)OC)C)(N+)(=O)(O)
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)CC(C2)c1cccs1
InChI=1SC30H28N2O6Sc1176920(1424(17)32(35)36)2827(30(34)38161971022(373)11819)18(2)31231321(1525(33)29(23)28)2654123926h41214212831H131516H213H3
MFCD03312475
STK083215
ZINC000001074917
ZINC000004396973
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