Vitas-M small molecule compound
ethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402821
SMILES CCOC(=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 C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-3-30-23(27)20-13(2)24-17-11-15(19-8-5-9-31-19)12-18(26)22(17)21(20)14-6-4-7-16(10-14)25(28)29/h4-10,15,21,24H,3,11-12H2,1-2H3InChIKey
CXSFVGBSEYONIX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
ethyl2methyl4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl2methyl4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H22N2O5Sc133023(27)2013(2)24171115(198593119)1218(26)22(17)21(20)1464716(1014)25(28)29h410152124H31112H212H3
MFCD03145216
ZINC000001073320
ZINC000001073327
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