Vitas-M small molecule compound

2-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

Catalog ID
STK714392
SMILES N#CC(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(=O)NCCc1ccc(c(c1)OC)OC

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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 C33H34N6O5 MW 594.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N6O5/c1-41-27-9-7-22(17-29(27)42-2)11-12-35-33(40)24(19-34)31-32(37-26-6-4-3-5-25(26)36-31)39-15-13-38(14-16-39)20-23-8-10-28-30(18-23)44-21-43-28/h3-10,17-18,24H,11-16,20-21H2,1-2H3,(H,35,40)
InChIKey
BCNOPEKIQWHXQS-UHFFFAOYSA-N
Synonyms

2(3(4(13benzodioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoN(2(34dimethoxyphenyl)ethyl)acetamide
2(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2cyanoN(34dimethoxyphenethyl)acetamide
COC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)OC
InChI=1SC33H34N6O5c141279722(1729(27)422)11123533(40)24(1934)3132(3726643525(26)3631)39151338(141639)20238102830(1823)44214328h310171824H11162021H212H3(H3540)
MFCD02991867
ZINC000098000269
ZINC000098000270

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Available files

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