Vitas-M small molecule compound
ethyl 2-amino-4-(4-chlorophenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK673207
SMILES CCOC(=O)C1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc(cc1)Cl)C(=O)CCC2
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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 C24H22ClN3O5 MW 467.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O5/c1-2-33-24(30)22-20(14-9-11-15(25)12-10-14)21-18(7-4-8-19(21)29)27(23(22)26)16-5-3-6-17(13-16)28(31)32/h3,5-6,9-13,20H,2,4,7-8,26H2,1H3InChIKey
RHWWOPLDWQTWCM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)Cl)C(=O)CCC2)C4=CC(=CC=C4)(N+)(=O)(O))N
CCOC(=O)C1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc(cc1)Cl)C(=O)CCC2
ethyl2amino4(4chlorophenyl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl2amino4(4chlorophenyl)1(3nitrophenyl)5oxo4678tetrahydroquinoline3carboxylate
InChI=1SC24H22ClN3O5c123324(30)2220(1491115(25)121014)2118(74819(21)29)27(23(22)26)1653617(1316)28(31)32h35691320H247826H21H3
MFCD01113464
ZINC000001022727
ZINC000001022728
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