Vitas-M small molecule compound
3-benzyl-5'-methyl-2'-(4-methylphenyl)-8-(trifluoromethyl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437368
SMILES Cc1ccc(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 C30H29F3N4O MW 518.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29F3N4O/c1-20-8-11-25(12-9-20)37-28(38)29(21(2)34-37)17-23-16-24(30(31,32)33)10-13-26(23)36-15-14-35(19-27(29)36)18-22-6-4-3-5-7-22/h3-13,16,27H,14-15,17-19H2,1-2H3InChIKey
DCDZBOZBYSWDEO-UHFFFAOYSA-NSynonyms
3benzyl5methyl2(4methylphenyl)8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
3benzyl5methyl2(4methylphenyl)8(trifluoromethyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CN(CC5)CC6=CC=CC=C6)C(=N2)C
InChI=1SC30H29F3N4Oc12081125(12920)3728(38)29(21(2)3437)17231624(30(3132)33)101326(23)36151435(1927(29)36)18226435722h3131627H14151719H212H3
MFCD09992111
ZINC000033429004
ZINC000247996703
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