Vitas-M small molecule compound
1'-methyl-3-[(4-methylphenyl)sulfonyl]-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
STK688786
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN2C(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 C23H23N5O6S2 MW 529.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O6S2/c1-14-3-6-17(7-4-14)36(33,34)26-9-10-27-18-8-5-16(28(31)32)11-15(18)12-23(19(27)13-26)20(29)24-22(35)25(2)21(23)30/h3-8,11,19H,9-10,12-13H2,1-2H3,(H,24,29,35)InChIKey
GAHYAZWJNGCKCR-UHFFFAOYSA-NSynonyms
1methyl3((4methylphenyl)sulfonyl)8nitro2thioxo2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)46(1H3H)dione
1methyl3(4methylphenyl)sulfonyl8nitro2sulfanylidenespiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)46dione
CC1=CC=C(C=C1)S(=O)(=O)N2CCN3C(C2)C4(CC5=C3C=CC(=C5)(N+)(=O)(O))C(=O)NC(=S)N(C4=O)C
Cc1ccc(cc1)S(=O)(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)NC(=S)N(C1=O)C
InChI=1SC23H23N5O6S2c1143617(7414)36(3334)2691027188516(28(31)32)1115(18)1223(19(27)1326)20(29)2422(35)25(2)21(23)30h381119H9101213H212H3(H242935)
MFCD07658628
ZINC000100218416
ZINC000245255196
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