Vitas-M small molecule compound
3-(4-methoxyphenyl)-8-nitro-1',3'-dipropyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK596275
SMILES CCCN1C(=O)N(CCC)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccc(cc1)OC)[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 C28H33N5O6 MW 535.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N5O6/c1-4-12-31-25(34)28(26(35)32(13-5-2)27(31)36)17-19-16-21(33(37)38)8-11-23(19)30-15-14-29(18-24(28)30)20-6-9-22(39-3)10-7-20/h6-11,16,24H,4-5,12-15,17-18H2,1-3H3InChIKey
NKTLBSPJQNWLAS-UHFFFAOYSA-NSynonyms
879450-94-93(4methoxyphenyl)8nitro13dipropyl12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
3(4methoxyphenyl)8nitro13dipropyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3(4methoxyphenyl)8nitro13dipropylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879450949
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C5=CC=C(C=C5)OC)C(=O)N(C1=O)CCC
CCCN1C(=O)N(CCC)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccc(cc1)OC)(N+)(=O)(O)
InChI=1SC28H33N5O6c14123125(34)28(26(35)32(1352)27(31)36)17191621(33(37)38)81123(19)30151429(1824(28)30)206922(393)10720h6111624H4512151718H213H3
MFCD06787438
ZINC000097956757
ZINC000097956758
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.