Vitas-M small molecule compound
ethyl 4-[3'-benzyl-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
STL437428
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(ccc1N1C2CC(CC1)Cc1ccccc1)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 C33H32F3N3O3 MW 575.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32F3N3O3/c1-3-42-30(40)24-9-12-27(13-10-24)39-31(41)32(21(2)37-39)20-25-19-26(33(34,35)36)11-14-28(25)38-16-15-23(18-29(32)38)17-22-7-5-4-6-8-22/h4-14,19,23,29H,3,15-18,20H2,1-2H3InChIKey
CMLWSURZRKVTRN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CC(CC5)CC6=CC=CC=C6)C(=N2)C
ethyl4(3benzyl3methyl5oxo8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)1(5H)yl)benzoate
ethyl4(3benzyl3methyl5oxo8(trifluoromethyl)spiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)1yl)benzoate
InChI=1SC33H32F3N3O3c134230(40)2491227(131024)3931(41)32(21(2)3739)20251926(33(3435)36)111428(25)38161523(1829(32)38)17227546822h414192329H3151820H212H3
MFCD09992170
ZINC000101391628
ZINC000250464755
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Check stock on Vitas-MAvailable files
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