Vitas-M small molecule compound
2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
Catalog ID
STL032883
SMILES CCOc1cc(CCNC(=O)C(c2nc3ccccc3nc2N2CCC(CC2)Cc2ccccc2)C#N)ccc1OCC
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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 C35H39N5O3 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N5O3/c1-3-42-31-15-14-26(23-32(31)43-4-2)16-19-37-35(41)28(24-36)33-34(39-30-13-9-8-12-29(30)38-33)40-20-17-27(18-21-40)22-25-10-6-5-7-11-25/h5-15,23,27-28H,3-4,16-22H2,1-2H3,(H,37,41)InChIKey
VSLRRTSWGWZTCD-UHFFFAOYSA-NSynonyms
2(3(4benzylpiperidin1yl)quinoxalin2yl)2cyanoN(2(34diethoxyphenyl)ethyl)acetamide
2(3(4benzylpiperidin1yl)quinoxalin2yl)2cyanoN(34diethoxyphenethyl)acetamide
CCOC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5)OCC
InChI=1SC35H39N5O3c134231151426(2332(31)4342)16193735(41)28(2436)3334(393013981229(30)3833)40201727(182140)2225106571125h515232728H341622H212H3(H3741)
MFCD03691526
ZINC000098000265
ZINC000098000266
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