Vitas-M small molecule compound
ethyl 4-[3'-methyl-5'-oxo-3-(pyrimidin-2-yl)-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
STL437434
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ncccn1)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 C29H27F3N6O3 MW 564.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27F3N6O3/c1-3-41-25(39)19-5-8-22(9-6-19)38-26(40)28(18(2)35-38)16-20-15-21(29(30,31)32)7-10-23(20)37-14-13-36(17-24(28)37)27-33-11-4-12-34-27/h4-12,15,24H,3,13-14,16-17H2,1-2H3InChIKey
QXXMWMYGBYAQKZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CN(CC5)C6=NC=CC=N6)C(=N2)C
ethyl4(3methyl5oxo3(pyrimidin2yl)8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(3methyl5oxo3pyrimidin2yl8(trifluoromethyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC29H27F3N6O3c134125(39)195822(9619)3826(40)28(18(2)3538)16201521(29(3031)32)71023(20)37141336(1724(28)37)2733114123427h4121524H313141617H212H3
MFCD09992176
ZINC000101391603
ZINC000248319806
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