Vitas-M small molecule compound
methyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK076008
SMILES COC(=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 C24H21ClN2O5 MW 452.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O5/c1-13-21(24(29)32-2)22(15-5-9-18(10-6-15)27(30)31)23-19(26-13)11-16(12-20(23)28)14-3-7-17(25)8-4-14/h3-10,16,22,26H,11-12H2,1-2H3InChIKey
RMQYFQSWFITQQO-UHFFFAOYSA-NSynonyms
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)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC24H21ClN2O5c11321(24(29)322)22(155918(10615)27(30)31)2319(2613)1116(1220(23)28)143717(25)8414h310162226H1112H212H3
methyl7(4chlorophenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(4chlorophenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
METHYLYLATE
MFCD01445572
STK076008
ZINC000000651961
ZINC000000651973
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