Vitas-M small molecule compound
2-methoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK100537
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)Cl
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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 C26H25ClN2O6 MW 496.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O6/c1-15-23(26(31)35-12-11-34-2)24(17-5-9-20(10-6-17)29(32)33)25-21(28-15)13-18(14-22(25)30)16-3-7-19(27)8-4-16/h3-10,18,24,28H,11-14H2,1-2H3InChIKey
PUFHFVMMTHPKAQ-UHFFFAOYSA-NSynonyms
2methoxyethyl7(4chlorophenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl7(4chlorophenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC26H25ClN2O6c11523(26(31)351211342)24(175920(10617)29(32)33)2521(2815)1318(1422(25)30)163719(27)8416h310182428H1114H212H3
MFCD01445644
ZINC000002926172
ZINC000002926182
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