Vitas-M small molecule compound
3-nitro-2'-thioxo-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Catalog ID
STL049924
SMILES S=C1NC(=O)C2(C(=O)N1)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 C17H18N4O4S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O4S/c22-14-17(15(23)19-16(26)18-14)9-10-8-11(21(24)25)5-6-12(10)20-7-3-1-2-4-13(17)20/h5-6,8,13H,1-4,7,9H2,(H2,18,19,22,23,26)InChIKey
IJBKDEZOSVNXCY-UHFFFAOYSA-NSynonyms
877797-91-63nitro2sulfanylidenespiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)46dione
3nitro2thioxo236a7891011octahydro1H5Hspiro(azepino(12a)quinoline65pyrimidine)46dione
3nitro2thioxo6a7891011hexahydro2H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H3H)dione
877797916
C1CCC2C3(CC4=C(N2CC1)C=CC(=C4)(N+)(=O)(O))C(=O)NC(=S)NC3=O
InChI=1SC17H18N4O4Sc221417(15(23)1916(26)1814)910811(21(24)25)5612(10)207312413(17)20h56813H1479H2(H21819222326)
MFCD05703434
S=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O)
ZINC000009009365
ZINC000009009367
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