Vitas-M small molecule compound
ethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403005
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)CC(C2)c1cccs1
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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 C24H24N2O5S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O5S/c1-4-31-24(28)21-14(3)25-17-10-16(20-6-5-9-32-20)12-19(27)23(17)22(21)15-8-7-13(2)18(11-15)26(29)30/h5-9,11,16,22,25H,4,10,12H2,1-3H3InChIKey
FAPRKYDWHIODIW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)CC(C2)c1cccs1
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)C)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
ethyl2methyl4(4methyl3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl2methyl4(4methyl3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC24H24N2O5Sc143124(28)2114(3)25171016(206593220)1219(27)23(17)22(21)158713(2)18(1115)26(29)30h5911162225H41012H213H3
MFCD03371022
ZINC000001438592
ZINC000001438595
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