Vitas-M small molecule compound
hexyl cyano(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoxalin-2-yl)acetate
Catalog ID
STL226016
SMILES CCCCCCOC(=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 C28H30F3N5O2 MW 525.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30F3N5O2/c1-2-3-4-7-17-38-27(37)22(19-32)25-26(34-24-12-6-5-11-23(24)33-25)36-15-13-35(14-16-36)21-10-8-9-20(18-21)28(29,30)31/h5-6,8-12,18,22H,2-4,7,13-17H2,1H3InChIKey
OTZFBGZBEBPXKP-UHFFFAOYSA-NSynonyms
840518-92-5840518925
CCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
HEXYL2CYANO2(3(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)QUINOXALIN2YL)ACETATE
hexylcyano(3(4(3(trifluoromethyl)phenyl)piperazin1yl)quinoxalin2yl)acetate
InChI=1SC28H30F3N5O2c12347173827(37)22(1932)2526(342412651123(24)3325)36151335(141636)21108920(1821)28(2930)31h568121822H2471317H21H3
MFCD04010989
ZINC000008980286
ZINC000008980287
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