Vitas-M small molecule compound

1,4-diphenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene

Catalog ID
STK967673
SMILES c1ccc(cc1)c1cn2c3c1CCCCn3c(n2)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 C21H19N3 MW 313.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3/c1-3-9-16(10-4-1)19-15-24-21-18(19)13-7-8-14-23(21)20(22-24)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2
InChIKey
KGCJYLXNOQPMFZ-UHFFFAOYSA-N
Synonyms
326013-60-9
14diphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene
14diphenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene
326013609
C1CCN2C3=C(C1)C(=CN3N=C2C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC21H19N3c13916(1041)1915242118(19)13781423(21)20(2224)17115261217h1691215H781314H2
MFCD02073595
ZINC000000390375
ZINC00390375
ZINC390375

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Available files

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