Vitas-M small molecule compound

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

Catalog ID
STK965797
SMILES COc1ccc(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 C22H21N3O MW 343.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O/c1-26-18-12-10-16(11-13-18)20-15-25-22-19(20)9-5-6-14-24(22)21(23-25)17-7-3-2-4-8-17/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3
InChIKey
MNMPLEPNFPKJJI-UHFFFAOYSA-N
Synonyms
326013-56-3
1(4methoxyphenyl)4phenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene
326013563
4(4methoxyphenyl)1phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene
COC1=CC=C(C=C1)C2=CN3C4=C2CCCCN4C(=N3)C5=CC=CC=C5
InChI=1SC22H21N3Oc12618121016(111318)2015252219(20)9561424(22)21(2325)177324817h2478101315H56914H21H3
MFCD00790663
ZINC000000390376
ZINC00390376
ZINC390376

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Available files

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