Vitas-M small molecule compound

methyl 2-amino-4-(4-methoxyphenyl)-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK757253
SMILES COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccccc1[N+](=O)[O-])C(=O)OC

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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 C24H23N3O6 MW 449.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O6/c1-32-15-12-10-14(11-13-15)20-21-18(8-5-9-19(21)28)26(23(25)22(20)24(29)33-2)16-6-3-4-7-17(16)27(30)31/h3-4,6-7,10-13,20H,5,8-9,25H2,1-2H3
InChIKey
VLPJAOHEZHEEKB-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C2C3=C(CCCC3=O)N(C(=C2C(=O)OC)N)C4=CC=CC=C4(N+)(=O)(O)
COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccccc1(N+)(=O)(O))C(=O)OC
InChI=1SC24H23N3O6c13215121014(111315)202118(85919(21)28)26(23(25)22(20)24(29)332)16634717(16)27(30)31h3467101320H58925H212H3
methyl2amino4(4methoxyphenyl)1(2nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl2amino4(4methoxyphenyl)1(2nitrophenyl)5oxo4678tetrahydroquinoline3carboxylate
MFCD01239696
ZINC000008809782
ZINC000008809783

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Available files

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