Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK069725
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])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 C29H30N2O7 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7/c1-17-26(29(33)38-16-21-9-6-12-37-21)27(18-7-5-8-20(13-18)31(34)35)28-23(30-17)14-19(15-24(28)32)22-10-3-4-11-25(22)36-2/h3-5,7-8,10-11,13,19,21,27,30H,6,9,12,14-16H2,1-2H3InChIKey
HZOWGJHYGXERNV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCC5CCCO5
COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OCC1CCCO1)C
InChI=1SC29H30N2O7c11726(29(33)38162196123721)27(1875820(1318)31(34)35)2823(3017)1419(1524(28)32)2210341125(22)362h357810111319212730H69121416H212H3
MFCD03370992
oxolan2ylmethyl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK069725
tetrahydrofuran2ylmethyl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000019955693
ZINC000239310035
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