Vitas-M small molecule compound

propan-2-yl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate

Catalog ID
STL334079
SMILES N#CC(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(=O)OC(C)C

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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 C26H27N5O4 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O4/c1-17(2)35-26(32)19(14-27)24-25(29-21-6-4-3-5-20(21)28-24)31-11-9-30(10-12-31)15-18-7-8-22-23(13-18)34-16-33-22/h3-8,13,17,19H,9-12,15-16H2,1-2H3
InChIKey
GNOZYRIMUCAWJO-UHFFFAOYSA-N
Synonyms
488794-38-3
488794383
CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC26H27N5O4c117(2)3526(32)19(1427)2425(2921643520(21)2824)3111930(101231)1518782223(1318)34163322h38131719H9121516H212H3
isopropyl2(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoacetate
MFCD03292682
PROPAN2YL(2R)(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)QUINOXALIN2YL)(CYANO)ETHANOATE
PROPAN2YL(2S)(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)QUINOXALIN2YL)(CYANO)ETHANOATE
propan2yl(3(4(13benzodioxol5ylmethyl)piperazin1yl)quinoxalin2yl)(cyano)acetate
PROPAN2YL2(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)QUINOXALIN2YL)2CYANOACETATE
ZINC000061714943
ZINC000061714944

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Available files

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