Vitas-M small molecule compound
cyclopentyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK026710
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1)OC1CCCC1
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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 C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-17-25(28(32)35-22-12-5-6-13-22)26(19-10-7-11-21(14-19)30(33)34)27-23(29-17)15-20(16-24(27)31)18-8-3-2-4-9-18/h2-4,7-11,14,20,22,26,29H,5-6,12-13,15-16H2,1H3InChIKey
DXDVEZKIUPAIRZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC5CCCC5
cyclopentyl2methyl4(3nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclopentyl2methyl4(3nitrophenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H28N2O5c11725(28(32)352212561322)26(191071121(1419)30(33)34)2723(2917)1520(1624(27)31)188324918h247111420222629H5612131516H21H3
MFCD00771506
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1)OC1CCCC1
STK026710
ZINC000001202423
ZINC000001202436
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