Vitas-M small molecule compound
1',3-dimethyl-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Catalog ID
STK688606
SMILES CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)NC(=S)N(C1=O)C
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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 C17H19N5O4S MW 389.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O4S/c1-19-5-6-21-12-4-3-11(22(25)26)7-10(12)8-17(13(21)9-19)14(23)18-16(27)20(2)15(17)24/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,18,23,27)InChIKey
GFSNSRSUEWGIEA-UHFFFAOYSA-NSynonyms
13dimethyl8nitro2sulfanylidenespiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)46dione
13dimethyl8nitro2thioxo2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)46(1H3H)dione
CN1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)NC(=S)N(C1=O)C
CN1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=S)N(C3=O)C
InChI=1SC17H19N5O4Sc1195621124311(22(25)26)710(12)817(13(21)919)14(23)1816(27)20(2)15(17)24h34713H5689H212H3(H182327)
MFCD07657866
ZINC000015023540
ZINC000247963337
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