Vitas-M small molecule compound
2-ethylbutyl cyano(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoxalin-2-yl)acetate
Catalog ID
STL226026
SMILES CCC(COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)C#N)CC
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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/c1-3-19(4-2)18-38-27(37)22(17-32)25-26(34-24-11-6-5-10-23(24)33-25)36-14-12-35(13-15-36)21-9-7-8-20(16-21)28(29,30)31/h5-11,16,19,22H,3-4,12-15,18H2,1-2H3InChIKey
MOYPWADRCMOXPD-UHFFFAOYSA-NSynonyms
840483-00-32ETHYLBUTYL2CYANO2(3(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)QUINOXALIN2YL)ACETATE
2ethylbutylcyano(3(4(3(trifluoromethyl)phenyl)piperazin1yl)quinoxalin2yl)acetate
840483003
CCC(CC)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC28H30F3N5O2c1319(42)183827(37)22(1732)2526(342411651023(24)3325)36141235(131536)2197820(1621)28(2930)31h511161922H34121518H212H3
MFCD04007132
ZINC000008980294
ZINC000008980295
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