Vitas-M small molecule compound

ethyl 4-[3'-methyl-5'-oxo-3-(pyridin-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
STL437433
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccccn1)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 C30H28F3N5O3 MW 563.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28F3N5O3/c1-3-41-27(39)20-7-10-23(11-8-20)38-28(40)29(19(2)35-38)17-21-16-22(30(31,32)33)9-12-24(21)37-15-14-36(18-25(29)37)26-6-4-5-13-34-26/h4-13,16,25H,3,14-15,17-18H2,1-2H3
InChIKey
VIIJCHKFDAITMS-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CN(CC5)C6=CC=CC=N6)C(=N2)C
ethyl4(3methyl5oxo3(pyridin2yl)8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(3methyl5oxo3pyridin2yl8(trifluoromethyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC30H28F3N5O3c134127(39)2071023(11820)3828(40)29(19(2)3538)17211622(30(3132)33)91224(21)37151436(1825(29)37)26645133426h4131625H314151718H212H3
MFCD09992175
ZINC000101391606
ZINC000248321924

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Available files

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