Vitas-M small molecule compound

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

Catalog ID
STK959511
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)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 C26H26ClN3O2 MW 447.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O2/c1-31-24-14-18(10-13-23(24)32-16-17-8-11-19(27)12-9-17)25-20-6-4-2-3-5-7-22(20)30-26(29)21(25)15-28/h8-14H,2-7,16H2,1H3,(H2,29,30)
InChIKey
PBWIWPQQXCPWJQ-UHFFFAOYSA-N
Synonyms
398136-40-8
2amino4(4((4chlorobenzyl)oxy)3methoxyphenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
2amino4(4((4chlorophenyl)methoxy)3methoxyphenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
398136408
COC1=C(C=CC(=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)OCC4=CC=C(C=C4)Cl
InChI=1SC26H26ClN3O2c131241418(101323(24)32161781119(27)12917)252064235722(20)3026(29)21(25)1528h814H2716H21H3(H22930)
MFCD02175313
ZINC000035812647
ZINC35812647

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Available files

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