Vitas-M small molecule compound
1',3-dibenzyl-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
STK687247
SMILES [O-][N+](=O)c1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1
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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 C29H27N5O5 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O5/c35-26-29(27(36)33(28(37)30-26)18-21-9-5-2-6-10-21)16-22-15-23(34(38)39)11-12-24(22)32-14-13-31(19-25(29)32)17-20-7-3-1-4-8-20/h1-12,15,25H,13-14,16-19H2,(H,30,35,37)InChIKey
PMHUSQCCAAKWHS-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1
13dibenzyl8nitro2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
13dibenzyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
C1CN2C(CN1CC3=CC=CC=C3)C4(CC5=C2C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)N(C4=O)CC6=CC=CC=C6
InChI=1SC29H27N5O5c352629(27(36)33(28(37)3026)182195261021)16221523(34(38)39)111224(22)32141331(1925(29)32)17207314820h1121525H13141619H2(H303537)
MFCD06191390
ZINC000012376422
ZINC000103024410
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