Vitas-M small molecule compound
3-(2-chlorobenzyl)-1'-(4-methoxyphenyl)-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
STK686606
SMILES COc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)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 C29H26ClN5O6 MW 576.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN5O6/c1-41-22-9-6-20(7-10-22)34-27(37)29(26(36)31-28(34)38)15-19-14-21(35(39)40)8-11-24(19)33-13-12-32(17-25(29)33)16-18-4-2-3-5-23(18)30/h2-11,14,25H,12-13,15-17H2,1H3,(H,31,36,38)InChIKey
QDMPLIBLICXHAK-UHFFFAOYSA-NSynonyms
3((2chlorophenyl)methyl)1(4methoxyphenyl)8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
3(2chlorobenzyl)1(4methoxyphenyl)8nitro2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
COC1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)(N+)(=O)(O))N5C3CN(CC5)CC6=CC=CC=C6Cl)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1Cl)(N+)(=O)(O)
InChI=1SC29H26ClN5O6c141229620(71022)3427(37)29(26(36)3128(34)38)15191421(35(39)40)81124(19)33131232(1725(29)33)1618423523(18)30h2111425H12131517H21H3(H313638)
MFCD06016396
ZINC000098007989
ZINC000230045697
Check stock
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Check stock on Vitas-MAvailable files
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