Vitas-M small molecule compound
2-ethoxyethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402756
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[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 C25H26N2O6S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O6S/c1-3-32-9-10-33-25(29)22-15(2)26-19-13-17(21-8-5-11-34-21)14-20(28)24(19)23(22)16-6-4-7-18(12-16)27(30)31/h4-8,11-12,17,23,26H,3,9-10,13-14H2,1-2H3InChIKey
RVQBDHQEBDXGSM-UHFFFAOYSA-NSynonyms
2ethoxyethyl2methyl4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethoxyethyl2methyl4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC25H26N2O6Sc13329103325(29)2215(2)26191317(2185113421)1420(28)24(19)23(22)1664718(1216)27(30)31h481112172326H39101314H212H3
MFCD02868457
ZINC000002792833
ZINC000002792836
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