Vitas-M small molecule compound
methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK092624
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[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 C22H20N2O5S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S/c1-12-19(22(26)29-2)20(13-5-7-15(8-6-13)24(27)28)21-16(23-12)10-14(11-17(21)25)18-4-3-9-30-18/h3-9,14,20,23H,10-11H2,1-2H3InChIKey
IVBIIYKBHXZVET-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1
InChI=1SC22H20N2O5Sc11219(22(26)292)20(135715(8613)24(27)28)2116(2312)1014(1117(21)25)184393018h39142023H1011H212H3
methyl2methyl4(4nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl2methyl4(4nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD02188186
STK092624
ZINC000001107224
ZINC000001107227
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