Vitas-M small molecule compound
ethyl 1'-tert-butyl-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Catalog ID
STK594339
SMILES CCOC(=O)C1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)C(C)(C)C)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 C23H28N4O7 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O7/c1-5-34-18(28)13-8-9-25-16-7-6-15(27(32)33)10-14(16)12-23(17(25)11-13)19(29)24-21(31)26(20(23)30)22(2,3)4/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3,(H,24,29,31)InChIKey
JEFMTKKVFZBMIY-UHFFFAOYSA-NSynonyms
1024321-69-41024321694
CCOC(=O)C1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)N=C(N(C1=O)C(C)(C)C)O
CCOC(=O)C1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)N(C3=O)C(C)(C)C
ethyl1tertbutyl2hydroxy8nitro46dioxo12344a6hexahydro1H4H6Hspiro(pyrido(12a)quinoline55pyrimidine)3carboxylate
ethyl1tertbutyl8nitro246trioxospiro(12344a6hexahydrobenzo(f)quinolizine5513diazinane)3carboxylate
InChI=1SC23H28N4O7c153418(28)138925167615(27(32)33)1014(16)1223(17(25)1113)19(29)2421(31)26(20(23)30)22(23)4h67101317H5891112H214H3(H242931)
MFCD07198116
ZINC000009266095
ZINC000245326110
Check stock
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Check stock on Vitas-MAvailable files
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