Vitas-M small molecule compound
heptyl cyano(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoxalin-2-yl)acetate
Catalog ID
STL226018
SMILES CCCCCCCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)C#N
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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 C29H32F3N5O2 MW 539.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32F3N5O2/c1-2-3-4-5-8-18-39-28(38)23(20-33)26-27(35-25-13-7-6-12-24(25)34-26)37-16-14-36(15-17-37)22-11-9-10-21(19-22)29(30,31)32/h6-7,9-13,19,23H,2-5,8,14-18H2,1H3InChIKey
HAZPITJVGYQKBU-UHFFFAOYSA-NSynonyms
841208-40-0841208400
CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
HEPTYL2CYANO2(3(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)QUINOXALIN2YL)ACETATE
heptylcyano(3(4(3(trifluoromethyl)phenyl)piperazin1yl)quinoxalin2yl)acetate
InChI=1SC29H32F3N5O2c123458183928(38)23(2033)2627(352513761224(25)3426)37161436(151737)221191021(1922)29(3031)32h679131923H2581418H21H3
MFCD04011572
ZINC000097952970
ZINC000097952971
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