Vitas-M small molecule compound
3-butan-2-yl 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404982
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)C(C(C2)C)C(=O)OC)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 C25H30N2O7 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O7/c1-7-14(4)34-25(30)20-15(5)26-17-10-13(3)19(24(29)33-6)23(28)22(17)21(20)16-9-8-12(2)18(11-16)27(31)32/h8-9,11,13-14,19,21,26H,7,10H2,1-6H3InChIKey
ASZVMJSYURIZMD-UHFFFAOYSA-NSynonyms
1005053-19-91005053199
3butan2yl6methyl27dimethyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Obutan2yl6Omethyl27dimethyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)C)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H30N2O7c1714(4)3425(30)2015(5)26171013(3)19(24(29)336)23(28)22(17)21(20)169812(2)18(1116)27(31)32h89111314192126H710H216H3
MFCD05031573
ZINC000034852431
ZINC000229938707
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