Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Catalog ID
STK961265
SMILES COc1ccc(cc1COc1ccc(cc1)C)c1c2CCCCCCc2nc(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 C27H29N3O2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2/c1-18-9-12-21(13-10-18)32-17-20-15-19(11-14-25(20)31-2)26-22-7-5-3-4-6-8-24(22)30-27(29)23(26)16-28/h9-15H,3-8,17H2,1-2H3,(H2,29,30)InChIKey
DJVFQKNCPSZHOP-UHFFFAOYSA-NSynonyms
445034-58-22amino4(4methoxy3((4methylphenoxy)methyl)phenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
445034582
CC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C3=C(C(=NC4=C3CCCCCC4)N)C#N)OC
InChI=1SC27H29N3O2c11891221(131018)3217201519(111425(20)312)262275346824(22)3027(29)23(26)1628h915H3817H212H3(H22930)
MFCD02373512
ZINC000035999625
ZINC35999625
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