Vitas-M small molecule compound
2-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}-2-cyano-N-cyclohexylacetamide
Catalog ID
STL303217
SMILES N#CC(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
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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 C29H32N6O3 MW 512.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N6O3/c30-17-22(29(36)31-21-6-2-1-3-7-21)27-28(33-24-9-5-4-8-23(24)32-27)35-14-12-34(13-15-35)18-20-10-11-25-26(16-20)38-19-37-25/h4-5,8-11,16,21-22H,1-3,6-7,12-15,18-19H2,(H,31,36)InChIKey
IICJJSOVCFGRNA-UHFFFAOYSA-NSynonyms
2(3(4(13benzodioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoNcyclohexylacetamide
2(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoNcyclohexylacetamide
C1CCC(CC1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC29H32N6O3c301722(29(36)31216213721)2728(3324954823(24)3227)35141234(131535)182010112526(1620)38193725h45811162122H136712151819H2(H3136)
MFCD02987835
ZINC000055412852
ZINC000055412854
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