Vitas-M small molecule compound

ethyl 4-[3,3'-dimethyl-5'-oxo-8-(trifluoromethyl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl]benzoate

Catalog ID
STL437429
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(C)CC1)C(F)(F)F)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 C26H27F3N4O3 MW 500.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27F3N4O3/c1-4-36-23(34)17-5-8-20(9-6-17)33-24(35)25(16(2)30-33)14-18-13-19(26(27,28)29)7-10-21(18)32-12-11-31(3)15-22(25)32/h5-10,13,22H,4,11-12,14-15H2,1-3H3
InChIKey
XJUIYSBCARVXIM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CN(CC5)C)C(=N2)C
ethyl4(33dimethyl5oxo8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(33dimethyl5oxo8(trifluoromethyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC26H27F3N4O3c143623(34)175820(9617)3324(35)25(16(2)3033)14181319(26(2728)29)71021(18)32121131(3)1522(25)32h5101322H411121415H213H3
MFCD09992171
ZINC000033429035
ZINC000248323041

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Available files

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