Vitas-M small molecule compound
[(3Z)-3-amino-4-cyano-5-ethoxy-5-oxo-N-(pyridin-2-yl-kappaN)pent-3-enimidato-kappaO](dibutyl)boron
Catalog ID
STK674147
SMILES CCCC[B-]1(CCCC)OC(=Nc2[n+]1cccc2)C/C(=C(/C(=O)OCC)\C#N)/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 C21H31BN4O3 MW 398.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31BN4O3/c1-4-7-12-22(13-8-5-2)26-14-10-9-11-19(26)25-20(29-22)15-18(24)17(16-23)21(27)28-6-3/h9-11,14H,4-8,12-13,15,24H2,1-3H3/b18-17-InChIKey
MOIZTTMWGKJOGC-ZCXUNETKSA-NSynonyms
((3Z)3amino4cyano5ethoxy5oxoN(pyridin2ylkappaN)pent3enimidatokappaO)(dibutyl)boron
(B)1((N+)2=CC=CC=C2N=C(O1)CC(=C(C#N)C(=O)OCC)N)(CCCC)CCCC
CCCC(B)1(CCCC)OC(=Nc2(n+)1cccc2)CC(=C(C(=O)OCC)C#N)N
ethyl(Z)3amino2cyano4(1010dibutyl9oxa7aza1azonia10boranuidabicyclo(440)deca1357tetraen8yl)but2enoate
InChI=1SC21H31BN4O3c1471222(13852)26141091119(26)2520(2922)1518(24)17(1623)21(27)2863h91114H4812131524H213H3b1817
MFCD01306272
ZINC000169794686
ZINC169794686
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