Vitas-M small molecule compound
2-amino-4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Catalog ID
STL174309
SMILES COc1ccc(cc1COc1ccc(cc1Cl)Br)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 C26H25BrClN3O2 MW 526.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrClN3O2/c1-32-23-10-8-16(12-17(23)15-33-24-11-9-18(27)13-21(24)28)25-19-6-4-2-3-5-7-22(19)31-26(30)20(25)14-29/h8-13H,2-7,15H2,1H3,(H2,30,31)InChIKey
FUJNOFYHHCFSIB-UHFFFAOYSA-NSynonyms
445237-93-42amino4(3((4bromo2chlorophenoxy)methyl)4methoxyphenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
445237934
COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)COC4=C(C=C(C=C4)Br)Cl
InChI=1SC26H25BrClN3O2c1322310816(1217(23)15332411918(27)1321(24)28)251964235722(19)3126(30)20(25)1429h813H2715H21H3(H23031)
MFCD02609406
ZINC000053277261
ZINC53277261
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