Vitas-M small molecule compound
2-methylpropyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403053
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C
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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 C27H30N2O7S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7S/c1-5-35-21-12-17(10-19(26(21)31)29(33)34)24-23(27(32)36-13-14(2)3)15(4)28-18-9-16(11-20(30)25(18)24)22-7-6-8-37-22/h6-8,10,12,14,16,24,28,31H,5,9,11,13H2,1-4H3InChIKey
FANTWRKFOPMDJF-UHFFFAOYSA-NSynonyms
2methylpropyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methylpropyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC(C)C)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C
InChI=1SC27H30N2O7Sc1535211217(1019(26(21)31)29(33)34)2423(27(32)361314(2)3)15(4)2818916(1120(30)25(18)24)227683722h6810121416242831H591113H214H3
MFCD03371058
ZINC000012411378
ZINC000012411383
Check stock
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Check stock on Vitas-MAvailable files
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