Vitas-M small molecule compound
3-(4-methoxyphenyl)-8-nitro-1'-(propan-2-yl)-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
STK596042
SMILES COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)NC(=O)N(C1=O)C(C)C
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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 C25H27N5O6 MW 493.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O6/c1-15(2)29-23(32)25(22(31)26-24(29)33)13-16-12-18(30(34)35)6-9-20(16)28-11-10-27(14-21(25)28)17-4-7-19(36-3)8-5-17/h4-9,12,15,21H,10-11,13-14H2,1-3H3,(H,26,31,33)InChIKey
KPUCPTUDQNDECI-UHFFFAOYSA-NSynonyms
879770-70-41isopropyl3(4methoxyphenyl)8nitro12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
3(4methoxyphenyl)8nitro1(propan2yl)2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3(4methoxyphenyl)8nitro1propan2ylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879770704
CC(C)N1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C5=CC=C(C=C5)OC)C(=O)NC1=O
COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)NC(=O)N(C1=O)C(C)C
InChI=1SC25H27N5O6c115(2)2923(32)25(22(31)2624(29)33)13161218(30(34)35)6920(16)28111027(1421(25)28)174719(363)8517h49121521H10111314H213H3(H263133)
MFCD07638042
ZINC000009430396
ZINC000245326464
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.