Vitas-M small molecule compound
2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Catalog ID
STK599010
SMILES COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=NC1=O)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 C22H21N5O6 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O6/c1-33-16-5-2-14(3-6-16)25-8-9-26-17-7-4-15(27(31)32)10-13(17)11-22(18(26)12-25)19(28)23-21(30)24-20(22)29/h2-7,10,18H,8-9,11-12H2,1H3,(H2,23,24,28,29,30)InChIKey
CGKBPJJOOSSWKR-UHFFFAOYSA-NSynonyms
879461-33-326dihydroxy3(4methoxyphenyl)8nitro2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)4one
3(4methoxyphenyl)8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879461333
COC1=CC=C(C=C1)N2CCN3C(C2)C4(CC5=C3C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)NC4=O
COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=NC(=NC1=O)O)O
InChI=1SC22H21N5O6c133165214(3616)258926177415(27(31)32)1013(17)1122(18(26)1225)19(28)2321(30)2420(22)29h271018H891112H21H3(H22324282930)
MFCD07206989
ZINC000016996040
ZINC000245324913
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