Vitas-M small molecule compound
propyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403037
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)c1ccccc1OC
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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 C28H30N2O8 MW 522.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O8/c1-5-10-38-28(33)24-15(2)29-19-11-16(18-8-6-7-9-22(18)36-3)13-21(31)26(19)25(24)17-12-20(30(34)35)27(32)23(14-17)37-4/h6-9,12,14,16,25,29,32H,5,10-11,13H2,1-4H3InChIKey
UCGZHKTWCRHHOS-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1ccccc1OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC28H30N2O8c15103828(33)2415(2)29191116(18867922(18)363)1321(31)26(19)25(24)171220(30(34)35)27(32)23(1417)374h69121416252932H5101113H214H3
MFCD03371048
propyl4(4hydroxy3methoxy5nitrophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4hydroxy3methoxy5nitrophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000095201973
ZINC000095201976
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