Vitas-M small molecule compound
3-(4-methoxyphenyl)-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
STL437366
SMILES COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)C(F)(F)F)C(=NN(C1=O)c1ccc(cc1)C)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 C30H29F3N4O2 MW 534.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29F3N4O2/c1-19-4-7-24(8-5-19)37-28(38)29(20(2)34-37)17-21-16-22(30(31,32)33)6-13-26(21)36-15-14-35(18-27(29)36)23-9-11-25(39-3)12-10-23/h4-13,16,27H,14-15,17-18H2,1-3H3InChIKey
ZMMRDSKYZOBYPV-UHFFFAOYSA-NSynonyms
3(4methoxyphenyl)5methyl2(4methylphenyl)8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
3(4methoxyphenyl)5methyl2(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)C6=CC=C(C=C6)OC)C(=N2)C
InChI=1SC30H29F3N4O2c1194724(8519)3728(38)29(20(2)3437)17211622(30(3132)33)61326(21)36151435(1827(29)36)2391125(393)121023h4131627H14151718H213H3
MFCD09992109
ZINC000101391794
ZINC000226813692
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