Vitas-M small molecule compound
1'-tert-butyl-3-nitro-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
STK785398
SMILES O=C1NC(=O)C2(C(=O)N1C(C)(C)C)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/c1-20(2,3)24-18(27)21(17(26)22-19(24)28)12-13-11-14(25(29)30)8-9-15(13)23-10-6-4-5-7-16(21)23/h8-9,11,16H,4-7,10,12H2,1-3H3,(H,22,26,28)InChIKey
RLIRWKCNTHIPJR-UHFFFAOYSA-NSynonyms
893767-49-21(tertbutyl)3nitro6a7891011hexahydro1H5Hspiro(azepino(12a)quinoline65pyrimidine)246(3H)trione
1tertbutyl3nitro6a7891011hexahydro2H5Hspiro(azepino(12a)quinoline65pyrimidine)246(1H3H)trione
1tertbutyl3nitrospiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
CC(C)(C)N1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCCCC4)C(=O)NC1=O
InChI=1SC21H26N4O5c120(23)2418(27)21(17(26)2219(24)28)12131114(25(29)30)8915(13)2310645716(21)23h891116H471012H213H3(H222628)
MFCD06601960
O=C1NC(=O)C2(C(=O)N1C(C)(C)C)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O)
ZINC000009009698
ZINC000229959939
Check stock
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Check stock on Vitas-MAvailable files
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