Vitas-M small molecule compound
2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Catalog ID
STK959455
SMILES COc1cc(ccc1OCc1cccc(c1)C(F)(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 C27H26F3N3O2 MW 481.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3N3O2/c1-34-24-14-18(11-12-23(24)35-16-17-7-6-8-19(13-17)27(28,29)30)25-20-9-4-2-3-5-10-22(20)33-26(32)21(25)15-31/h6-8,11-14H,2-5,9-10,16H2,1H3,(H2,32,33)InChIKey
AAFKHXHXFJZDOX-UHFFFAOYSA-NSynonyms
397874-98-52amino4(3methoxy4((3(trifluoromethyl)benzyl)oxy)phenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
2amino4(3methoxy4((3(trifluoromethyl)phenyl)methoxy)phenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
397874985
COC1=C(C=CC(=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)OCC4=CC(=CC=C4)C(F)(F)F
InChI=1SC27H26F3N3O2c134241418(111223(24)35161776819(1317)27(2829)30)2520942351022(20)3326(32)21(25)1531h681114H2591016H21H3(H23233)
MFCD02175052
ZINC000035812651
ZINC35812651
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