Vitas-M small molecule compound
pentyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370779
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(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 C24H30N2O5 MW 426.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O5/c1-5-6-7-11-31-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-9-8-10-17(12-16)26(29)30/h8-10,12,21,25H,5-7,11,13-14H2,1-4H3InChIKey
UTGABFRTSBMWID-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
InChI=1SC24H30N2O5c1567113123(28)2015(2)25181324(34)1419(27)22(18)21(20)16981017(1216)26(29)30h810122125H57111314H214H3
MFCD00325304
pentyl277trimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
pentyl277trimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
ZINC000003146382
ZINC000003146383
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