Vitas-M small molecule compound
ethyl 4-[3-(2-hydroxyethyl)-3'-methyl-5'-oxo-8-(trifluoromethyl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl]benzoate
Catalog ID
STL437430
SMILES OCCN1CCN2C(C1)C1(Cc3c2ccc(c3)C(F)(F)F)C(=NN(C1=O)c1ccc(cc1)C(=O)OCC)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 C27H29F3N4O4 MW 530.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29F3N4O4/c1-3-38-24(36)18-4-7-21(8-5-18)34-25(37)26(17(2)31-34)15-19-14-20(27(28,29)30)6-9-22(19)33-11-10-32(12-13-35)16-23(26)33/h4-9,14,23,35H,3,10-13,15-16H2,1-2H3InChIKey
BTODOKUVNWTBCC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CN(CC5)CCO)C(=N2)C
ethyl4(3(2hydroxyethyl)3methyl5oxo8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(3(2hydroxyethyl)3methyl5oxo8(trifluoromethyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC27H29F3N4O4c133824(36)184721(8518)3425(37)26(17(2)3134)15191420(27(2829)30)6922(19)33111032(121335)1623(26)33h49142335H310131516H212H3
MFCD09992172
ZINC000101391623
ZINC000248241090
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