Vitas-M small molecule compound
1',3-dimethyl-8-nitro-3'-propyl-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
STK685739
SMILES CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(C)CC1)[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 C20H25N5O5 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O5/c1-4-7-24-18(27)20(17(26)22(3)19(24)28)11-13-10-14(25(29)30)5-6-15(13)23-9-8-21(2)12-16(20)23/h5-6,10,16H,4,7-9,11-12H2,1-3H3InChIKey
NOKXIGUAECPSIN-UHFFFAOYSA-NSynonyms
13dimethyl8nitro3propyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
13dimethyl8nitro3propylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C)C(=O)N(C1=O)C
CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(C)CC1)(N+)(=O)(O)
InChI=1SC20H25N5O5c1472418(27)20(17(26)22(3)19(24)28)11131014(25(29)30)5615(13)239821(2)1216(20)23h561016H4791112H213H3
MFCD05860490
ZINC000055232035
ZINC000230039429
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