Vitas-M small molecule compound
2-amino-4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Catalog ID
STK959494
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])c1c2CCCCCc2nc(c1C#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 C25H24N4O4 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4/c1-32-23-13-17(9-12-22(23)33-15-16-7-10-18(11-8-16)29(30)31)24-19-5-3-2-4-6-21(19)28-25(27)20(24)14-26/h7-13H,2-6,15H2,1H3,(H2,27,28)InChIKey
PPIDRCRKGWRUSJ-UHFFFAOYSA-NSynonyms
397875-00-22amino4(3methoxy4((4nitrobenzyl)oxy)phenyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
2amino4(3methoxy4((4nitrophenyl)methoxy)phenyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
397875002
COC1=C(C=CC(=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N)OCC4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))c1c2CCCCCc2nc(c1C#N)N
InChI=1SC25H24N4O4c132231317(91222(23)33151671018(11816)29(30)31)24195324621(19)2825(27)20(24)1426h713H2615H21H3(H22728)
MFCD02175232
ZINC000020228647
ZINC20228647
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