Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK040568
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)[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)33-15-17-7-5-4-6-8-17)23(18-9-11-19(12-10-18)28(31)32)24-20(27-16)13-26(2,3)14-21(24)29/h4-12,23,27H,13-15H2,1-3H3InChIKey
QFXJORXBXILPEJ-UHFFFAOYSA-NSynonyms
299451-46-0299451460
benzyl277trimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl277trimethyl4(4nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OCC4=CC=CC=C4
InChI=1SC26H26N2O5c11622(25(30)3315177546817)23(1891119(121018)28(31)32)2420(2716)1326(23)1421(24)29h4122327H1315H213H3
MFCD00625115
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C)OCc1ccccc1
STK040568
ZINC000019228289
ZINC000019228292
Check stock
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