Vitas-M small molecule compound
heptyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
Catalog ID
STK920535
SMILES CCCCCCCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1)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 C29H35N5O2 MW 485.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N5O2/c1-2-3-4-5-11-20-36-29(35)24(21-30)27-28(32-26-15-10-9-14-25(26)31-27)34-18-16-33(17-19-34)22-23-12-7-6-8-13-23/h6-10,12-15,24H,2-5,11,16-20,22H2,1H3InChIKey
WJDYQOAGXJLBOE-UHFFFAOYSA-NSynonyms
843632-45-1843632451
CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4
heptyl(3(4benzylpiperazin1yl)quinoxalin2yl)(cyano)acetate
HEPTYL2(3(4BENZYLPIPERAZIN1YL)QUINOXALIN2YL)2CYANOACETATE
InChI=1SC29H35N5O2c1234511203629(35)24(2130)2728(3226151091425(26)3127)34181633(171934)2223127681323h610121524H2511162022H21H3
MFCD04016992
ZINC000097953052
ZINC000097953053
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