Vitas-M small molecule compound

2-amino-4-{4-[(2-bromophenoxy)methyl]-3-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Catalog ID
STK317438
SMILES COc1cc(ccc1COc1ccccc1Br)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 C26H26BrN3O2 MW 492.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrN3O2/c1-31-24-14-17(12-13-18(24)16-32-23-11-7-6-9-21(23)27)25-19-8-4-2-3-5-10-22(19)30-26(29)20(25)15-28/h6-7,9,11-14H,2-5,8,10,16H2,1H3,(H2,29,30)
InChIKey
JGQLVVFUSNOWBT-UHFFFAOYSA-N
Synonyms
445031-80-1
2amino4(4((2bromophenoxy)methyl)3methoxyphenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
445031801
COC1=C(C=CC(=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)COC4=CC=CC=C4Br
InChI=1SC26H26BrN3O2c131241417(121318(24)1632231176921(23)27)2519842351022(19)3026(29)20(25)1528h6791114H2581016H21H3(H22930)
MFCD02175871
ZINC000018172709
ZINC18172709

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Available files

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