Vitas-M small molecule compound

tetrahydrofuran-2-ylmethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403143
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)[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)38-16-21-6-5-13-37-21)27(18-9-11-20(12-10-18)31(34)35)28-23(30-17)14-19(15-24(28)32)22-7-3-4-8-25(22)36-2/h3-4,7-12,19,21,27,30H,5-6,13-16H2,1-2H3
InChIKey
OQPMVZJCDLBIFH-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCC5CCCO5
COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)(N+)(=O)(O))C(=O)OCC1CCCO1)C
InChI=1SC29H30N2O7c11726(29(33)38162165133721)27(1891120(121018)31(34)35)2823(3017)1419(1524(28)32)22734825(22)362h3471219212730H561316H212H3
MFCD03371107
oxolan2ylmethyl7(2methoxyphenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(2methoxyphenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000020568807
ZINC000239173782

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Available files

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