Vitas-M small molecule compound
2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK096392
SMILES O=C(C1=C(C)NC2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])C(=O)CCC2)OCCc1ccccc1
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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 C25H23ClN2O5 MW 466.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O5/c1-15-22(25(30)33-13-12-16-6-3-2-4-7-16)23(24-20(27-15)8-5-9-21(24)29)18-14-17(28(31)32)10-11-19(18)26/h2-4,6-7,10-11,14,23,27H,5,8-9,12-13H2,1H3InChIKey
ICWUUNLDVIRZSW-UHFFFAOYSA-NSynonyms
2phenylethyl4(2chloro5nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(2chloro5nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)OCCC4=CC=CC=C4
InChI=1SC25H23ClN2O5c11522(25(30)331312166324716)23(2420(2715)85921(24)29)181417(28(31)32)101119(18)26h24671011142327H5891213H21H3
MFCD02104400
O=C(C1=C(C)NC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CCC2)OCCc1ccccc1
STK096392
ZINC000001221200
ZINC000001221201
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