Vitas-M small molecule compound
10'-fluoro-1-phenyl-1',2',4',4a'-tetrahydro-2H,6'H-spiro[pyrimidine-5,5'-[1,4]thiazino[4,3-a]quinoline]-2,4,6(1H,3H)-trione
Catalog ID
STL437801
SMILES O=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1cccc(c1N1C2CSCC1)F
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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 C21H18FN3O3S MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O3S/c22-15-8-4-5-13-11-21(16-12-29-10-9-24(16)17(13)15)18(26)23-20(28)25(19(21)27)14-6-2-1-3-7-14/h1-8,16H,9-12H2,(H,23,26,28)InChIKey
QAAVQFGXSNZOPE-UHFFFAOYSA-NSynonyms
10fluoro1phenyl1244atetrahydro2H6Hspiro(pyrimidine55(14)thiazino(43a)quinoline)246(1H3H)trione
10fluoro1phenylspiro(13diazinane55244a6tetrahydro1H(14)thiazino(43a)quinoline)246trione
C1CSCC2N1C3=C(CC24C(=O)NC(=O)N(C4=O)C5=CC=CC=C5)C=CC=C3F
InChI=1SC21H18FN3O3Sc2215845131121(16122910924(16)17(13)15)18(26)2320(28)25(19(21)27)146213714h1816H912H2(H232628)
MFCD08273137
ZINC000008694627
ZINC000033429123
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