Vitas-M small molecule compound
2-phenylethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402902
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1)OCCc1ccccc1
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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 C29H26N2O5S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O5S/c1-18-26(29(33)36-13-12-19-7-3-2-4-8-19)27(20-9-5-10-22(15-20)31(34)35)28-23(30-18)16-21(17-24(28)32)25-11-6-14-37-25/h2-11,14-15,21,27,30H,12-13,16-17H2,1H3InChIKey
IZCWNIKIIAQBDA-UHFFFAOYSA-NSynonyms
2phenylethyl2methyl4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenylethyl2methyl4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCC5=CC=CC=C5
InChI=1SC29H26N2O5Sc11826(29(33)361312197324819)27(20951022(1520)31(34)35)2823(3018)1621(1724(28)32)25116143725h2111415212730H12131617H21H3
MFCD03370939
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1)OCCc1ccccc1
ZINC000001431212
ZINC000001431215
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