Vitas-M small molecule compound
1',3'-dimethyl-8-nitro-3-phenyl-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
STK573783
SMILES O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1)[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 C23H23N5O5 MW 449.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5/c1-24-20(29)23(21(30)25(2)22(24)31)13-15-12-17(28(32)33)8-9-18(15)27-11-10-26(14-19(23)27)16-6-4-3-5-7-16/h3-9,12,19H,10-11,13-14H2,1-2H3InChIKey
JDSGIYBMKCHFBE-UHFFFAOYSA-NSynonyms
900609-19-013dimethyl8nitro3phenyl12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
13dimethyl8nitro3phenyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
13dimethyl8nitro3phenylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
900609190
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C5=CC=CC=C5)C(=O)N(C1=O)C
InChI=1SC23H23N5O5c12420(29)23(21(30)25(2)22(24)31)13151217(28(32)33)8918(15)27111026(1419(23)27)166435716h391219H10111314H212H3
O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1)(N+)(=O)(O)
ZINC000009087396
ZINC000009087397
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