Vitas-M small molecule compound
2-[3-(azepan-1-yl)quinoxalin-2-yl]-N-butyl-2-cyanoacetamide
Catalog ID
STL329463
SMILES CCCCNC(=O)C(c1nc2ccccc2nc1N1CCCCCC1)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 C21H27N5O MW 365.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O/c1-2-3-12-23-21(27)16(15-22)19-20(26-13-8-4-5-9-14-26)25-18-11-7-6-10-17(18)24-19/h6-7,10-11,16H,2-5,8-9,12-14H2,1H3,(H,23,27)InChIKey
RDGOHEARHPQWCX-UHFFFAOYSA-NSynonyms
(2S)2(3(AZEPAN1YL)QUINOXALIN2YL)NBUTYL2CYANOETHANAMIDE
2(3(azepan1yl)quinoxalin2yl)Nbutyl2cyanoacetamide
2(3AZEPAN1YLQUINOXALIN2YL)NBUTYL2CYANOACETAMIDE
CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3
InChI=1SC21H27N5Oc123122321(27)16(1522)1920(261384591426)251811761017(18)2419h67101116H25891214H21H3(H2327)
MFCD02984361
ZINC000002313156
ZINC000002313157
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