Vitas-M small molecule compound
1-[2-(3,4-dimethoxyphenyl)ethyl]-7'-nitro-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Catalog ID
STK724704
SMILES COc1ccc(cc1OC)CCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCC1)[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 C25H26N4O7 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O7/c1-35-19-8-5-15(12-20(19)36-2)9-11-28-23(31)25(22(30)26-24(28)32)14-16-13-17(29(33)34)6-7-18(16)27-10-3-4-21(25)27/h5-8,12-13,21H,3-4,9-11,14H2,1-2H3,(H,26,30,32)InChIKey
XXMOFHNHUMANIH-UHFFFAOYSA-NSynonyms
879568-88-41(2(34dimethoxyphenyl)ethyl)7nitro1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trione
1(2(34dimethoxyphenyl)ethyl)7nitrospiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
1(34dimethoxyphenethyl)7nitro233a5tetrahydro1H1Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(3H)trione
879568884
COC1=C(C=C(C=C1)CCN2C(=O)C3(CC4=C(C=CC(=C4)(N+)(=O)(O))N5C3CCC5)C(=O)NC2=O)OC
COc1ccc(cc1OC)CCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCC1)(N+)(=O)(O)
InChI=1SC25H26N4O7c135198515(1220(19)362)9112823(31)25(22(30)2624(28)32)14161317(29(33)34)6718(16)27103421(25)27h58121321H3491114H212H3(H263032)
MFCD07638021
ZINC000008974520
ZINC000229900952
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.