Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK059112
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1
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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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-3-35-13-12-34-27(31)24-17(2)28-22-15-20(18-8-5-4-6-9-18)16-23(30)26(22)25(24)19-10-7-11-21(14-19)29(32)33/h4-11,14,20,25,28H,3,12-13,15-16H2,1-2H3InChIKey
XOYZLAXRYTWLIB-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl2methyl4(3nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl4(3nitrophenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC27H28N2O5Sc133513123427(31)2417(2)28221520(188546918)1623(30)26(22)25(24)191071121(1419)29(32)33h41114202528H312131516H212H3
MFCD02375975
STK059112
ZINC000002779782
ZINC000002779785
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