Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2',6'-dihydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Catalog ID
STK577498
SMILES OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)[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 C23H21N5O7 MW 479.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O7/c29-20-23(21(30)25-22(31)24-20)9-14-8-15(28(32)33)2-3-16(14)27-6-5-26(11-19(23)27)10-13-1-4-17-18(7-13)35-12-34-17/h1-4,7-8,19H,5-6,9-12H2,(H2,24,25,29,30,31)InChIKey
NQVBKBOZYNJYSB-UHFFFAOYSA-NSynonyms
879468-69-63(13benzodioxol5ylmethyl)26dihydroxy8nitro2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)4one
3(13benzodioxol5ylmethyl)8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879468696
C1CN2C(CN1CC3=CC4=C(C=C3)OCO4)C5(CC6=C2C=CC(=C6)(N+)(=O)(O))C(=O)NC(=O)NC5=O
InChI=1SC23H21N5O7c292023(21(30)2522(31)2420)914815(28(32)33)2316(14)276526(1119(23)27)1013141718(713)35123417h147819H56912H2(H22425293031)
MFCD07207491
OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)(N+)(=O)(O)
ZINC000016996516
ZINC000036329036
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