Vitas-M small molecule compound
heptyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
Catalog ID
STL226019
SMILES CCCCCCCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)Cl)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 C28H32ClN5O2 MW 506.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32ClN5O2/c1-2-3-4-5-8-18-36-28(35)23(20-30)26-27(32-25-13-7-6-12-24(25)31-26)34-16-14-33(15-17-34)22-11-9-10-21(29)19-22/h6-7,9-13,19,23H,2-5,8,14-18H2,1H3InChIKey
JZMUIENNZZUAPC-UHFFFAOYSA-NSynonyms
573970-82-8573970828
CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl
heptyl(3(4(3chlorophenyl)piperazin1yl)quinoxalin2yl)(cyano)acetate
HEPTYL2(3(4(3CHLOROPHENYL)PIPERAZIN1YL)QUINOXALIN2YL)2CYANOACETATE
InChI=1SC28H32ClN5O2c123458183628(35)23(2030)2627(322513761224(25)3126)34161433(151734)221191021(29)1922h679131923H2581418H21H3
MFCD04022964
ZINC000097953164
ZINC000097953165
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