Vitas-M small molecule compound
ethyl 4-[3-(3-chlorophenyl)-3'-methyl-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
STL437432
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1cccc(c1)Cl)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 C31H28ClF3N4O3 MW 597.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClF3N4O3/c1-3-42-28(40)20-7-10-24(11-8-20)39-29(41)30(19(2)36-39)17-21-15-22(31(33,34)35)9-12-26(21)38-14-13-37(18-27(30)38)25-6-4-5-23(32)16-25/h4-12,15-16,27H,3,13-14,17-18H2,1-2H3InChIKey
NKVNSJJNXUMSBX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CN(CC5)C6=CC(=CC=C6)Cl)C(=N2)C
ethyl4(3(3chlorophenyl)3methyl5oxo8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(3(3chlorophenyl)3methyl5oxo8(trifluoromethyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC31H28ClF3N4O3c134228(40)2071024(11820)3929(41)30(19(2)3639)17211522(31(3334)35)91226(21)38141337(1827(30)38)2564523(32)1625h412151627H313141718H212H3
MFCD09992174
ZINC000101391612
ZINC000248317768
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