Vitas-M small molecule compound
3-benzyl-5'-methyl-2'-phenyl-8-(trifluoromethyl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437346
SMILES CC1=NN(C(=O)C21Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)C(F)(F)F)c1ccccc1
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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 C29H27F3N4O MW 504.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27F3N4O/c1-20-28(27(37)36(33-20)24-10-6-3-7-11-24)17-22-16-23(29(30,31)32)12-13-25(22)35-15-14-34(19-26(28)35)18-21-8-4-2-5-9-21/h2-13,16,26H,14-15,17-19H2,1H3InChIKey
JGIYYOLCDWVHMV-UHFFFAOYSA-NSynonyms
3benzyl5methyl2phenyl8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
3benzyl5methyl2phenyl8(trifluoromethyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=NN(C(=O)C12CC3=C(C=CC(=C3)C(F)(F)F)N4C2CN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC29H27F3N4Oc12028(27(37)36(3320)24106371124)17221623(29(3031)32)121325(22)35151434(1926(28)35)18218425921h2131626H14151719H21H3
MFCD09992089
ZINC000025184656
ZINC000248012040
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