Vitas-M small molecule compound
3'-benzyl-5-methyl-2-phenyl-8'-(trifluoromethyl)-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[pyrazole-4,5'-pyrido[1,2-a]quinolin]-3(2H)-one
Catalog ID
STL437342
SMILES CC1=NN(C(=O)C21Cc1cc(ccc1N1C2CC(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 C30H28F3N3O MW 503.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28F3N3O/c1-20-29(28(37)36(34-20)25-10-6-3-7-11-25)19-23-18-24(30(31,32)33)12-13-26(23)35-15-14-22(17-27(29)35)16-21-8-4-2-5-9-21/h2-13,18,22,27H,14-17,19H2,1H3InChIKey
UFYLBFAAUYBRLZ-UHFFFAOYSA-NSynonyms
3benzyl5methyl2phenyl8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)3(2H)one
3benzyl5methyl2phenyl8(trifluoromethyl)spiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)3one
CC1=NN(C(=O)C12CC3=C(C=CC(=C3)C(F)(F)F)N4C2CC(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC30H28F3N3Oc12029(28(37)36(3420)25106371125)19231824(30(3132)33)121326(23)35151422(1727(29)35)16218425921h213182227H141719H21H3
MFCD09992085
ZINC000025184618
ZINC000248042999
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