Vitas-M small molecule compound
2-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}-2-cyano-N-(4-methoxybenzyl)acetamide
Catalog ID
STK714394
SMILES COc1ccc(cc1)CNC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C31H30N6O4 MW 550.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N6O4/c1-39-23-9-6-21(7-10-23)18-33-31(38)24(17-32)29-30(35-26-5-3-2-4-25(26)34-29)37-14-12-36(13-15-37)19-22-8-11-27-28(16-22)41-20-40-27/h2-11,16,24H,12-15,18-20H2,1H3,(H,33,38)InChIKey
OPESZMHDMOAQAE-UHFFFAOYSA-NSynonyms
2(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)QUINOXALIN2YL)2CYANON((4METHOXYPHENYL)METHYL)ACETAMIDE
2(3(4(13benzodioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoN(4methoxybenzyl)acetamide
2(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoN(4methoxybenzyl)acetamide
COC1=CC=C(C=C1)CNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC31H30N6O4c139239621(71023)183331(38)24(1732)2930(3526532425(26)3429)37141236(131537)19228112728(1622)41204027h2111624H12151820H21H3(H3338)
MFCD02990574
ZINC000098000015
ZINC000098000016
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