Vitas-M small molecule compound

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

Catalog ID
STL004082
SMILES Clc1ccc(c(c1)Cl)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 C21H17Cl2N3 MW 382.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N3/c22-15-9-10-17(19(23)12-15)20-24-26-13-18(14-6-2-1-3-7-14)16-8-4-5-11-25(20)21(16)26/h1-3,6-7,9-10,12-13H,4-5,8,11H2
InChIKey
BOFPGHXMAKWXEG-UHFFFAOYSA-N
Synonyms
539810-54-3
1(24dichlorophenyl)4phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene
4(24dichlorophenyl)1phenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene
539810543
C1CCN2C3=C(C1)C(=CN3N=C2C4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5
InChI=1SC21H17Cl2N3c221591017(19(23)1215)2024261318(146213714)168451125(20)21(16)26h13679101213H45811H2
MFCD03460869
ZINC000002684698
ZINC02684698
ZINC2684698

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Available files

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