Vitas-M small molecule compound
ethyl 4-[3-methyl-5-oxo-8'-(trifluoromethyl)-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[pyrazole-4,5'-pyrido[1,2-a]quinolin]-1(5H)-yl]benzoate
Catalog ID
STL437427
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(ccc1N1C2CCCC1)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 C26H26F3N3O3 MW 485.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26F3N3O3/c1-3-35-23(33)17-7-10-20(11-8-17)32-24(34)25(16(2)30-32)15-18-14-19(26(27,28)29)9-12-21(18)31-13-5-4-6-22(25)31/h7-12,14,22H,3-6,13,15H2,1-2H3InChIKey
LEVSHXINBLYZBU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CCCC5)C(=N2)C
ethyl4(3methyl5oxo8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)1(5H)yl)benzoate
ethyl4(3methyl5oxo8(trifluoromethyl)spiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)1yl)benzoate
InChI=1SC26H26F3N3O3c133523(33)1771020(11817)3224(34)25(16(2)3032)15181419(26(2728)29)91221(18)311354622(25)31h7121422H361315H212H3
MFCD09992169
ZINC000025185014
ZINC000250471854
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