Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Catalog ID
STL173034
SMILES COc1ccc(cc1COc1c(F)c(F)c(c(c1F)F)F)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 C26H22F5N3O2 MW 503.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22F5N3O2/c1-35-18-9-8-13(10-14(18)12-36-25-23(30)21(28)20(27)22(29)24(25)31)19-15-6-4-2-3-5-7-17(15)34-26(33)16(19)11-32/h8-10H,2-7,12H2,1H3,(H2,33,34)InChIKey
ZLBYHYPUEUMDLS-UHFFFAOYSA-NSynonyms
514816-41-22amino4(4methoxy3((23456pentafluorophenoxy)methyl)phenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
2amino4(4methoxy3((pentafluorophenoxy)methyl)phenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
514816412
COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)COC4=C(C(=C(C(=C4F)F)F)F)F
InChI=1SC26H22F5N3O2c135189813(1014(18)12362523(30)21(28)20(27)22(29)24(25)31)191564235717(15)3426(33)16(19)1132h810H2712H21H3(H23334)
MFCD02175247
ZINC000036046351
ZINC36046351
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