Vitas-M small molecule compound
1'-cyclohexyl-2'-hydroxy-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Catalog ID
STK589363
SMILES OC1=NC(=O)C2(C(=O)N1C1CCCCC1)Cc1cc(ccc1N1C2CCCCC1)[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 C23H28N4O5 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O5/c28-20-23(21(29)26(22(30)24-20)16-7-3-1-4-8-16)14-15-13-17(27(31)32)10-11-18(15)25-12-6-2-5-9-19(23)25/h10-11,13,16,19H,1-9,12,14H2,(H,24,28,30)InChIKey
MYVMCYHPBXIZEG-UHFFFAOYSA-NSynonyms
879463-93-11cyclohexyl2hydroxy3nitro6a7891011hexahydro4H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H)dione
1cyclohexyl3nitrospiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
879463931
C1CCC(CC1)N2C(=O)C3(CC4=C(C=CC(=C4)(N+)(=O)(O))N5C3CCCCC5)C(=O)NC2=O
InChI=1SC23H28N4O5c282023(21(29)26(22(30)2420)167314816)14151317(27(31)32)101118(15)2512625919(23)25h1011131619H191214H2(H242830)
MFCD07207175
OC1=NC(=O)C2(C(=O)N1C1CCCCC1)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O)
ZINC000009240793
ZINC000009240798
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