Vitas-M small molecule compound
methyl 1-{3-[2-(benzylamino)-1-cyano-2-oxoethyl]quinoxalin-2-yl}piperidine-4-carboxylate
Catalog ID
STK990754
SMILES N#CC(c1nc2ccccc2nc1N1CCC(CC1)C(=O)OC)C(=O)NCc1ccccc1
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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 C25H25N5O3 MW 443.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O3/c1-33-25(32)18-11-13-30(14-12-18)23-22(28-20-9-5-6-10-21(20)29-23)19(15-26)24(31)27-16-17-7-3-2-4-8-17/h2-10,18-19H,11-14,16H2,1H3,(H,27,31)InChIKey
PUKHCRRUJLXFBD-UHFFFAOYSA-NSynonyms
COC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=CC=C4
InChI=1SC25H25N5O3c13325(32)18111330(141218)2322(28209561021(20)2923)19(1526)24(31)2716177324817h2101819H111416H21H3(H2731)
methyl1(3(2(benzylamino)1cyano2oxoethyl)quinoxalin2yl)piperidine4carboxylate
MFCD08161746
ZINC000008834441
ZINC000008834442
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