Vitas-M small molecule compound
3-(4-fluorophenyl)-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
STK579504
SMILES CCCN1C(=O)N(CCC)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccc(cc1)F)[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 C27H30FN5O5 MW 523.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30FN5O5/c1-3-11-31-24(34)27(25(35)32(12-4-2)26(31)36)16-18-15-21(33(37)38)9-10-22(18)30-14-13-29(17-23(27)30)20-7-5-19(28)6-8-20/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3InChIKey
UUQCTHMXWGEKLH-UHFFFAOYSA-NSynonyms
879471-89-33(4fluorophenyl)8nitro13dipropyl12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
3(4fluorophenyl)8nitro13dipropyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3(4fluorophenyl)8nitro13dipropylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879471893
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C5=CC=C(C=C5)F)C(=O)N(C1=O)CCC
CCCN1C(=O)N(CCC)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccc(cc1)F)(N+)(=O)(O)
InChI=1SC27H30FN5O5c13113124(34)27(25(35)32(1242)26(31)36)16181521(33(37)38)91022(18)30141329(1723(27)30)207519(28)6820h5101523H3411141617H212H3
MFCD06789679
ZINC000009013992
ZINC000009015616
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.