Vitas-M small molecule compound
3-(2-chlorobenzyl)-8-nitro-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
STK782042
SMILES O=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1Cl)[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 C22H20ClN5O5 MW 469.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O5/c23-16-4-2-1-3-13(16)11-26-7-8-27-17-6-5-15(28(32)33)9-14(17)10-22(18(27)12-26)19(29)24-21(31)25-20(22)30/h1-6,9,18H,7-8,10-12H2,(H2,24,25,29,30,31)InChIKey
FSRWXOVENFDLJL-UHFFFAOYSA-NSynonyms
3((2chlorophenyl)methyl)8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
3(2chlorobenzyl)8nitro2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
C1CN2C(CN1CC3=CC=CC=C3Cl)C4(CC5=C2C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)NC4=O
InChI=1SC22H20ClN5O5c2316421313(16)11267827176515(28(32)33)914(17)1022(18(27)1226)19(29)2421(31)2520(22)30h16918H781012H2(H22425293031)
MFCD06016395
O=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1Cl)(N+)(=O)(O)
ZINC000012375491
ZINC000217688621
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