Vitas-M small molecule compound

1',3'-dimethyl-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
STK605703
SMILES S=C1N(C)C(=O)C2(C(=O)N1C)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 C19H22N4O4S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S/c1-20-16(24)19(17(25)21(2)18(20)28)11-12-10-13(23(26)27)7-8-14(12)22-9-5-3-4-6-15(19)22/h7-8,10,15H,3-6,9,11H2,1-2H3
InChIKey
OZYLHKINEUHKPI-UHFFFAOYSA-N
Synonyms
895833-03-1
13dimethyl3nitro2sulfanylidenespiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)46dione
13dimethyl3nitro2thioxo236a7891011octahydro1H5Hspiro(azepino(12a)quinoline65pyrimidine)46dione
13dimethyl3nitro2thioxo6a7891011hexahydro2H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H3H)dione
895833031
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCCCC4)C(=O)N(C1=S)C
InChI=1SC19H22N4O4Sc12016(24)19(17(25)21(2)18(20)28)11121013(23(26)27)7814(12)229534615(19)22h781015H36911H212H3
MFCD08289523
S=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O)
ZINC000006672850
ZINC000006672855

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Available files

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