Vitas-M small molecule compound

ethyl 7-[4-(acetylamino)phenoxy]-1-cyclopropyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Catalog ID
STL290454
SMILES CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2)Oc1ccc(cc1)NC(=O)C)[N+](=O)[O-]

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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 C23H21N3O7 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O7/c1-3-32-23(29)18-12-25(15-6-7-15)19-11-21(20(26(30)31)10-17(19)22(18)28)33-16-8-4-14(5-9-16)24-13(2)27/h4-5,8-12,15H,3,6-7H2,1-2H3,(H,24,27)
InChIKey
ZYVIBRIPPUKDBF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)(N+)(=O)(O))OC3=CC=C(C=C3)NC(=O)C)C4CC4
CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2)Oc1ccc(cc1)NC(=O)C)(N+)(=O)(O)
ethyl7(4(acetylamino)phenoxy)1cyclopropyl6nitro4oxo14dihydroquinoline3carboxylate
ethyl7(4acetamidophenoxy)1cyclopropyl6nitro4oxoquinoline3carboxylate
InChI=1SC23H21N3O7c133223(29)181225(156715)191121(20(26(30)31)1017(19)22(18)28)33168414(5916)2413(2)27h4581215H367H212H3(H2427)
MFCD01241812
ZINC000072434023
ZINC72434023

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Available files

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