Vitas-M small molecule compound
1'-methyl-8-nitro-3-(phenylsulfonyl)-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
STK688458
SMILES O=C1NC(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)S(=O)(=O)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 C22H21N5O7S MW 499.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O7S/c1-24-20(29)22(19(28)23-21(24)30)12-14-11-15(27(31)32)7-8-17(14)26-10-9-25(13-18(22)26)35(33,34)16-5-3-2-4-6-16/h2-8,11,18H,9-10,12-13H2,1H3,(H,23,28,30)InChIKey
DKVLWVIIFPKOMX-UHFFFAOYSA-NSynonyms
1methyl8nitro3(phenylsulfonyl)2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3(benzenesulfonyl)1methyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)S(=O)(=O)C5=CC=CC=C5)C(=O)NC1=O
InChI=1SC22H21N5O7Sc12420(29)22(19(28)2321(24)30)12141115(27(31)32)7817(14)2610925(1318(22)26)35(3334)165324616h281118H9101213H21H3(H232830)
MFCD07657642
O=C1NC(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)S(=O)(=O)c1ccccc1)(N+)(=O)(O)
ZINC000012416559
ZINC000230058375
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Check stock on Vitas-MAvailable files
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