Vitas-M small molecule compound
2-amino-4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Catalog ID
STK961568
SMILES COc1ccc(cc1COc1ccc(cc1Cl)Br)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 C25H23BrClN3O2 MW 512.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrClN3O2/c1-31-22-9-7-15(11-16(22)14-32-23-10-8-17(26)12-20(23)27)24-18-5-3-2-4-6-21(18)30-25(29)19(24)13-28/h7-12H,2-6,14H2,1H3,(H2,29,30)InChIKey
ZAAKYYZBQJUQLG-UHFFFAOYSA-NSynonyms
445237-77-42amino4(3((4bromo2chlorophenoxy)methyl)4methoxyphenyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
445237774
COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N)COC4=C(C=C(C=C4)Br)Cl
InChI=1SC25H23BrClN3O2c131229715(1116(22)14322310817(26)1220(23)27)24185324621(18)3025(29)19(24)1328h712H2614H21H3(H22930)
MFCD02609207
ZINC000019841345
ZINC19841345
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