Vitas-M small molecule compound

butyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK373685
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1[N+](=O)[O-])OC)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 C25H32N2O7 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O7/c1-7-8-9-34-24(29)21-14(2)26-16-12-25(3,4)13-18(28)23(16)22(21)15-10-19(32-5)20(33-6)11-17(15)27(30)31/h10-11,22,26H,7-9,12-13H2,1-6H3
InChIKey
SSEPQPYFPJXSGR-UHFFFAOYSA-N
Synonyms

butyl4(45dimethoxy2nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(45dimethoxy2nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1(N+)(=O)(O))OC)C(=O)CC(C2)(C)C
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC25H32N2O7c17893424(29)2114(2)26161225(34)1318(28)23(16)22(21)151019(325)20(336)1117(15)27(30)31h10112226H791213H216H3
MFCD00816336
ZINC000003110538
ZINC000003110539

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Available files

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