Vitas-M small molecule compound
2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Catalog ID
STL239662
SMILES N#CC(c1nc2ccccc2nc1N1CCCCCC1)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 C27H31N5O3 MW 473.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O3/c1-34-23-12-11-19(17-24(23)35-2)13-14-29-27(33)20(18-28)25-26(32-15-7-3-4-8-16-32)31-22-10-6-5-9-21(22)30-25/h5-6,9-12,17,20H,3-4,7-8,13-16H2,1-2H3,(H,29,33)InChIKey
OSFHGGBKMGMPAL-UHFFFAOYSA-NSynonyms
2(3(azepan1yl)quinoxalin2yl)2cyanoN(2(34dimethoxyphenyl)ethyl)acetamide
2(3(azepan1yl)quinoxalin2yl)2cyanoN(34dimethoxyphenethyl)acetamide
2(3AZEPAN1YLQUINOXALIN2YL)2CYANON(2(34DIMETHOXYPHENYL)ETHYL)ACETAMIDE
COC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCCC4)OC
InChI=1SC27H31N5O3c13423121119(1724(23)352)13142927(33)20(1828)2526(321573481632)31221065921(22)3025h569121720H34781316H212H3(H2933)
MFCD02987461
ZINC000002375029
ZINC000002375032
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