Vitas-M small molecule compound
2',6'-dihydroxy-8-nitro-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Catalog ID
STK584542
SMILES OC1=NC(=O)C2(C(=N1)O)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 C21H19N5O5 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5/c27-18-21(19(28)23-20(29)22-18)11-13-10-15(26(30)31)6-7-16(13)25-9-8-24(12-17(21)25)14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2,(H2,22,23,27,28,29)InChIKey
JSJSKRCLMRNADM-UHFFFAOYSA-NSynonyms
879465-69-726dihydroxy8nitro3phenyl2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)4one
879465697
8nitro3phenylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
C1CN2C(CN1C3=CC=CC=C3)C4(CC5=C2C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)NC4=O
InChI=1SC21H19N5O5c271821(19(28)2320(29)2218)11131015(26(30)31)6716(13)259824(1217(21)25)144213514h171017H891112H2(H22223272829)
MFCD07208713
OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1)(N+)(=O)(O)
ZINC000009013334
ZINC000017014991
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