Vitas-M small molecule compound
ethyl 2,7,7-trimethyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757471
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(c(s1)C)[N+](=O)[O-])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 C20H24N2O5S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O5S/c1-6-27-19(24)16-10(2)21-12-8-20(4,5)9-14(23)17(12)18(16)15-7-13(22(25)26)11(3)28-15/h7,18,21H,6,8-9H2,1-5H3InChIKey
XLNGUSVTMLHBHY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1cc(c(s1)C)(N+)(=O)(O))C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
ethyl277trimethyl4(5methyl4nitrothiophen2yl)5oxo145678hexahydroquinoline3carboxylate
ethyl277trimethyl4(5methyl4nitrothiophen2yl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC20H24N2O5Sc162719(24)1610(2)2112820(45)914(23)17(12)18(16)15713(22(25)26)11(3)2815h71821H689H215H3
MFCD01118589
ZINC000019757727
ZINC000019757730
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