Vitas-M small molecule compound
methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK003550
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[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 C22H20N2O6S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6S/c1-11-19(22(27)30-2)20(12-5-6-16(25)15(9-12)24(28)29)21-14(23-11)8-13(10-17(21)26)18-4-3-7-31-18/h3-7,9,13,20,23,25H,8,10H2,1-2H3InChIKey
VRJLBKZUTZGPAS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
InChI=1SC22H20N2O6Sc11119(22(27)302)20(125616(25)15(912)24(28)29)2114(2311)813(1017(21)26)184373118h37913202325H810H212H3
methyl4(4hydroxy3nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(4hydroxy3nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD02188816
STK003550
ZINC000095201965
ZINC000095201968
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