Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-(4-fluorophenyl)-2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406073
SMILES Fc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)[N+](=O)[O-])C)C(=O)OCC1CCCO1)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 C29H29FN2O6 MW 520.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29FN2O6/c1-16-5-6-19(13-24(16)32(35)36)27-26(29(34)38-15-22-4-3-11-37-22)17(2)31-23-12-20(14-25(33)28(23)27)18-7-9-21(30)10-8-18/h5-10,13,20,22,27,31H,3-4,11-12,14-15H2,1-2H3InChIKey
JQWOXANMODTRAS-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC(=C2C(=O)OCC5CCCO5)C)(N+)(=O)(O)
Fc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)(N+)(=O)(O))C)C(=O)OCC1CCCO1)C
InChI=1SC29H29FN2O6c1165619(1324(16)32(35)36)2726(29(34)38152243113722)17(2)31231220(1425(33)28(23)27)187921(30)10818h5101320222731H3411121415H212H3
MFCD04216566
oxolan2ylmethyl7(4fluorophenyl)2methyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(4fluorophenyl)2methyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000016294258
ZINC000035913048
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