Vitas-M small molecule compound
3'-tert-butyl-6'-hydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4'(3'H)-dione
Catalog ID
STK609615
SMILES O=C1N=C(O)C2(C(=O)N1C(C)(C)C)Cc1cc(ccc1N1C2C2(C)CC1CC(C2)(C)C)[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 C25H32N4O5 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O5/c1-22(2,3)28-20(31)25(19(30)26-21(28)32)10-14-9-15(29(33)34)7-8-17(14)27-16-11-23(4,5)13-24(6,12-16)18(25)27/h7-9,16,18H,10-13H2,1-6H3,(H,26,30,32)InChIKey
FSYNNGJVBQNMLP-UHFFFAOYSA-NSynonyms
1212099-18-71212099187
3tertbutyl6hydroxy799trimethyl3nitro6a7891011hexahydro2H5Hspiro(711methanoazepino(12a)quinoline65pyrimidine)24(3H)dione
MFCD08732789
O=C1N=C(O)C2(C(=O)N1C(C)(C)C)Cc1cc(ccc1N1C2C2(C)CC1CC(C2)(C)C)(N+)(=O)(O)
ZINC000009186222
ZINC000229923197
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.