Vitas-M small molecule compound
3-benzyl-2'-(4-chlorophenyl)-5'-methyl-8-(trifluoromethyl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437401
SMILES Clc1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(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 C29H26ClF3N4O MW 539.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClF3N4O/c1-19-28(27(38)37(34-19)24-10-8-23(30)9-11-24)16-21-15-22(29(31,32)33)7-12-25(21)36-14-13-35(18-26(28)36)17-20-5-3-2-4-6-20/h2-12,15,26H,13-14,16-18H2,1H3InChIKey
IQGLJKGZLRIGOW-UHFFFAOYSA-NSynonyms
3benzyl2(4chlorophenyl)5methyl8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
3benzyl2(4chlorophenyl)5methyl8(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=C(C=C6)Cl
InChI=1SC29H26ClF3N4Oc11928(27(38)37(3419)2410823(30)91124)16211522(29(3132)33)71225(21)36141335(1826(28)36)17205324620h2121526H13141618H21H3
MFCD09992143
ZINC000101391693
ZINC000248009362
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