Vitas-M small molecule compound
butyl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
Catalog ID
STK546526
SMILES CCCCOC(=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 C27H29N5O4 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O4/c1-2-3-14-34-27(33)20(16-28)25-26(30-22-7-5-4-6-21(22)29-25)32-12-10-31(11-13-32)17-19-8-9-23-24(15-19)36-18-35-23/h4-9,15,20H,2-3,10-14,17-18H2,1H3InChIKey
XMFCLLLAVVNUDO-UHFFFAOYSA-NSynonyms
487023-31-4487023314
butyl(3(4(13benzodioxol5ylmethyl)piperazin1yl)quinoxalin2yl)(cyano)acetate
BUTYL2(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)QUINOXALIN2YL)2CYANOACETATE
butyl2(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoacetate
CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC27H29N5O4c123143427(33)20(1628)2526(3022754621(22)2925)32121031(111332)1719892324(1519)36183523h491520H2310141718H21H3
MFCD03286527
ZINC000057061441
ZINC000057061442
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