Vitas-M small molecule compound
2-amino-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Catalog ID
STL173056
SMILES COc1cc(ccc1OCc1ccc(cc1)C)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 C26H27N3O2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2/c1-17-8-10-18(11-9-17)16-31-23-13-12-19(14-24(23)30-2)25-20-6-4-3-5-7-22(20)29-26(28)21(25)15-27/h8-14H,3-7,16H2,1-2H3,(H2,28,29)InChIKey
IVHSKIZGUUENDU-UHFFFAOYSA-NSynonyms
380647-33-62amino4(3methoxy4((4methylbenzyl)oxy)phenyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
2amino4(3methoxy4((4methylphenyl)methoxy)phenyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
380647336
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=C(C(=NC4=C3CCCCC4)N)C#N)OC
InChI=1SC26H27N3O2c11781018(11917)163123131219(1424(23)302)25206435722(20)2926(28)21(25)1527h814H3716H212H3(H22829)
MFCD02175265
ZINC000019900776
ZINC19900776
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