Vitas-M small molecule compound

4-(azepan-1-yl)-5-(4-bromophenoxy)benzene-1,2-dicarbonitrile

Catalog ID
STK326910
SMILES N#Cc1cc(Oc2ccc(cc2)Br)c(cc1C#N)N1CCCCCC1

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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 C20H18BrN3O MW 396.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O/c21-17-5-7-18(8-6-17)25-20-12-16(14-23)15(13-22)11-19(20)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10H2
InChIKey
RTPCQYTVRURLND-UHFFFAOYSA-N
Synonyms
634172-19-3
4(1AZEPANYL)5(4BROMOPHENOXY)PHTHALONITRILE
4(azepan1yl)5(4bromophenoxy)benzene12dicarbonitrile
634172193
C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)Br
InChI=1SC20H18BrN3Oc21175718(8617)25201216(1423)15(1322)1119(20)24931241024h581112H14910H2
MFCD03819729
ZINC000001256163
ZINC01256163
ZINC1256163

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Available files

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