Vitas-M small molecule compound
1'-methyl-3-nitro-3'-propyl-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK780308
SMILES CCCN1C(=O)N(C)C(=O)C2(C1=O)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 C21H26N4O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5/c1-3-10-24-19(27)21(18(26)22(2)20(24)28)13-14-12-15(25(29)30)8-9-16(14)23-11-6-4-5-7-17(21)23/h8-9,12,17H,3-7,10-11,13H2,1-2H3InChIKey
JXCTYQQNDCENQB-UHFFFAOYSA-NSynonyms
1methyl3nitro3propyl6a7891011hexahydro2H5Hspiro(azepino(12a)quinoline65pyrimidine)246(1H3H)trione
1methyl3nitro3propylspiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCCCC4)C(=O)N(C1=O)C
CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O)
InChI=1SC21H26N4O5c13102419(27)21(18(26)22(2)20(24)28)13141215(25(29)30)8916(14)2311645717(21)23h891217H37101113H212H3
MFCD05860109
ZINC000004594361
ZINC000230038647
Check stock
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Check stock on Vitas-MAvailable files
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