Vitas-M small molecule compound
3-butan-2-yl 6-methyl 2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404995
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1[N+](=O)[O-])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 C24H28N2O7 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O7/c1-6-13(3)33-24(29)19-14(4)25-16-11-12(2)18(23(28)32-5)22(27)21(16)20(19)15-9-7-8-10-17(15)26(30)31/h7-10,12-13,18,20,25H,6,11H2,1-5H3InChIKey
YKUNGWPTQJSVOV-UHFFFAOYSA-NSynonyms
3butan2yl6methyl27dimethyl4(2nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Obutan2yl6Omethyl27dimethyl4(2nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=CC=C3(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC24H28N2O7c1613(3)3324(29)1914(4)25161112(2)18(23(28)325)22(27)21(16)20(19)159781017(15)26(30)31h7101213182025H611H215H3
MFCD06194074
ZINC000001461118
ZINC000169693424
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