Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372350
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)OCc1ccccc1
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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 C26H26N2O5 MW 446.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5/c1-16-22(25(30)33-15-17-8-5-4-6-9-17)23(18-10-7-11-19(12-18)28(31)32)24-20(27-16)13-26(2,3)14-21(24)29/h4-12,23,27H,13-15H2,1-3H3InChIKey
KOOQLOCLRSQUQM-UHFFFAOYSA-NSynonyms
benzyl277trimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl277trimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OCC4=CC=CC=C4
InChI=1SC26H26N2O5c11622(25(30)3315178546917)23(181071119(1218)28(31)32)2420(2716)1326(23)1421(24)29h4122327H1315H213H3
MFCD00625122
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)OCc1ccccc1
ZINC000003013341
ZINC000003013343
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