Vitas-M small molecule compound

1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene

Catalog ID
STK830473
SMILES Cc1ccc(cc1)c1nn2c3n1CCCCc3c(c2)c1ccccc1

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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 C22H21N3 MW 327.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3/c1-16-10-12-18(13-11-16)21-23-25-15-20(17-7-3-2-4-8-17)19-9-5-6-14-24(21)22(19)25/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3
InChIKey
WTRNWWVXPLUIFQ-UHFFFAOYSA-N
Synonyms
305341-36-0
1(4methylphenyl)4phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene
1phenyl4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene
305341360
CC1=CC=C(C=C1)C2=NN3C=C(C4=C3N2CCCC4)C5=CC=CC=C5
InChI=1SC22H21N3c116101218(131116)2123251520(177324817)199561424(21)22(19)25h2478101315H56914H21H3
MFCD01595249
ZINC000000188939
ZINC00188939
ZINC188939

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.